7-[(3-ethoxy-4-methoxy-phenyl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[(3-ethoxy-4-methoxy-phenyl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[(3-ethoxy-4-methoxy-benzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(3-ethoxy-4-methoxyphenyl)-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[(3-ethoxy-4-methoxybenzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(3-ethoxy-4-methoxy-benzoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H17N2O6S- MolecularWeight: 377.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)[O-])OC

InChI

InChI=1S/C17H18N2O6S/c1-3-25-12-8-9(4-5-11(12)24-2)14(20)18-13-15(21)19-10(17(22)23)6-7-26-16(13)19/h4-6,8,13,16H,3,7H2,1-2H3,(H,18,20)(H,22,23)/p-1