2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]nicotinate Formula: C16H15N2O5S- MolecularWeight: 347.3657

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-])OC

InChI

InChI=1S/C16H16N2O5S/c1-22-12-6-5-10(8-13(12)23-2)18-14(19)9-24-15-11(16(20)21)4-3-7-17-15/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21)/p-1