7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-butoxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(1-prop-2-enyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-butoxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(1-prop-2-enyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(1-allyltetrazol-5-yl)sulfanylmethyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-butoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-butoxyimino-1-oxoethyl]amino]-8-oxo-3-[[(1-prop-2-enyl-5-tetrazolyl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-butoxyiminoacetyl]amino]-8-oxo-3-[(1-prop-2-enyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[(1-allyltetrazol-5-yl)thio]methyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-butyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H25N9O5S3 MolecularWeight: 579.6755

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Descriptors Computed from Structure

Canonical SMILES:

CCCCON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CC=C)C(=O)O

Isomeric SMILES

CCCCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CC=C)C(=O)O

InChI

InChI=1S/C21H25N9O5S3/c1-3-5-7-35-26-13(12-10-37-20(22)23-12)16(31)24-14-17(32)30-15(19(33)34)11(8-36-18(14)30)9-38-21-25-27-28-29(21)6-4-2/h4,10,14,18H,2-3,5-9H2,1H3,(H2,22,23)(H,24,31)(H,33,34)/b26-13+