(6R,7R)-7-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(Z)-2-(2-aminothiazol-4-yl)pent-2-enoyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(Z)-2-(2-amino-4-thiazolyl)-1-oxopent-2-enyl]amino]-3-[(5-methyl-2-tetrazolyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(Z)-2-(2-aminothiazol-4-yl)pent-2-enoyl]amino]-8-keto-3-[(5-methyltetrazol-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H20N8O4S2 MolecularWeight: 476.5326

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CN4N=C(N=N4)C)C(=O)O

Isomeric SMILES

CC/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CN4N=C(N=N4)C)C(=O)O

InChI

InChI=1S/C18H20N8O4S2/c1-3-4-10(11-7-32-18(19)20-11)14(27)21-12-15(28)26-13(17(29)30)9(6-31-16(12)26)5-25-23-8(2)22-24-25/h4,7,12,16H,3,5-6H2,1-2H3,(H2,19,20)(H,21,27)(H,29,30)/b10-4-/t12-,16-/m1/s1