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

Systemtic Name: 2-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(3,4-dimethylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(3,4-dimethylanilino)-2-keto-ethyl]thio]nicotinate Formula: C16H15N2O3S- MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-])C

InChI

InChI=1S/C16H16N2O3S/c1-10-5-6-12(8-11(10)2)18-14(19)9-22-15-13(16(20)21)4-3-7-17-15/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21)/p-1