7-[(5-benzamido-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 7-[(5-benzamido-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 7-[(5-benzamido-6-hydroxy-6-oxo-hexanoyl)amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 7-[(5-benzamido-6-hydroxy-1,6-dioxohexyl)amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 7-[(5-benzamido-6-hydroxy-6-oxohexanoyl)amino]-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 7-[(5-benzamido-6-hydroxy-6-keto-hexanoyl)amino]-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CSC2C(C(=O)N2C1C(=O)O)NC(=O)CCCC(C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C=C1CSC2C(C(=O)N2C1C(=O)O)NC(=O)CCCC(C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O7S/c1-11-10-32-19-15(18(27)24(19)16(11)21(30)31)23-14(25)9-5-8-13(20(28)29)22-17(26)12-6-3-2-4-7-12/h2-4,6-7,13,15-16,19H,1,5,8-10H2,(H,22,26)(H,23,25)(H,28,29)(H,30,31)