(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; N,N'-bis(4-methylphenyl)ethane-1,2-diamine

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; N,N'-bis(4-methylphenyl)ethane-1,2-diamine Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; N,N'-bis(p-tolyl)ethane-1,2-diamine CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; N,N'-bis(4-methylphenyl)ethane-1,2-diamine IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; N,N'-bis(4-methylphenyl)ethane-1,2-diamine Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-(p-toluidino)ethyl-(p-tolyl)amine Formula: C30H33N7O5S2 MolecularWeight: 635.75692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCCNC2=CC=C(C=C2)C.C=CC1=C(N2C(C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NCCNC2=CC=C(C=C2)C.C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)O

InChI

InChI=1S/C16H20N2.C14H13N5O5S2/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h3-10,17-18H,11-12H2,1-2H3;2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b;18-7-/t;8-,12-/m.1/s1