4-[[4-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]anilino]-4-oxobutanoate IUPAC Name: 4-[4-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylanilino]-4-oxobutanoate Traditional Name: 4-[4-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]anilino]-4-keto-butyrate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC2=CC=C(C=C2)NC(=O)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC2=CC=C(C=C2)NC(=O)CCC(=O)[O-])C

InChI

InChI=1S/C18H17N3O3S/c1-11-9-12(2)20-18(15(11)10-19)25-14-5-3-13(4-6-14)21-16(22)7-8-17(23)24/h3-6,9H,7-8H2,1-2H3,(H,21,22)(H,23,24)/p-1