7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-propan-2-yloxyimino-ethanoyl]amino]-3-[(1-hexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-propan-2-yloxyimino-ethanoyl]amino]-3-[(1-hexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-formamidothiazol-4-yl)-2-isopropoxyimino-acetyl]amino]-3-[(1-hexyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-formamido-4-thiazolyl)-1-oxo-2-propan-2-yloxyiminoethyl]amino]-3-[[(1-hexyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-propan-2-yloxyiminoacetyl]amino]-3-[(1-hexyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-formamidothiazol-4-yl)-2-isopropyloximino-acetyl]amino]-3-[[(1-hexyltetrazol-5-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H31N9O6S3 MolecularWeight: 637.75464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC(C)C)C4=CSC(=N4)NC=O)SC2)C(=O)O

Isomeric SMILES

CCCCCCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC(C)C)/C4=CSC(=N4)NC=O)SC2)C(=O)O

InChI

InChI=1S/C24H31N9O6S3/c1-4-5-6-7-8-32-24(28-30-31-32)42-10-14-9-40-21-17(20(36)33(21)18(14)22(37)38)27-19(35)16(29-39-13(2)3)15-11-41-23(26-15)25-12-34/h11-13,17,21H,4-10H2,1-3H3,(H,27,35)(H,37,38)(H,25,26,34)/b29-16+