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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

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