6-[2-(3-carboxyphenyl)ethanoylamino]-3-methoxy-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[2-(3-carboxyphenyl)ethanoylamino]-3-methoxy-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-(3-carboxyphenyl)acetyl]amino]-3-methoxy-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-(3-carboxyphenyl)-1-oxoethyl]amino]-3-methoxy-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-(3-carboxyphenyl)acetyl]amino]-3-methoxy-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-(3-carboxyphenyl)acetyl]amino]-7-keto-3-methoxy-3-methyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC(=C3)C(=O)O)C(=O)O)OC

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC(=C3)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C17H18N2O7S/c1-17(26-2)12(16(24)25)19-13(21)11(14(19)27-17)18-10(20)7-8-4-3-5-9(6-8)15(22)23/h3-6,11-12,14H,7H2,1-2H3,(H,18,20)(H,22,23)(H,24,25)