7-[(2,6-dimethoxyphenyl)carbonylamino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2,6-dimethoxyphenyl)carbonylamino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2,6-dimethoxybenzoyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2,6-dimethoxybenzoyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2,6-dimethoxybenzoyl)amino]-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(C(C2=O)NC(=O)C3=C(C=CC=C3OC)OC)SC1)C(=O)O

Isomeric SMILES

COC1=C(N2C(C(C2=O)NC(=O)C3=C(C=CC=C3OC)OC)SC1)C(=O)O

InChI

InChI=1S/C17H18N2O7S/c1-24-8-5-4-6-9(25-2)11(8)14(20)18-12-15(21)19-13(17(22)23)10(26-3)7-27-16(12)19/h4-6,12,16H,7H2,1-3H3,(H,18,20)(H,22,23)