[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H19N3O4S/c1-11-4-3-5-13(6-11)20-16(22)9-25-10-17(23)24-8-15(21)14(7-18)12(2)19/h3-6,14,19H,8-10H2,1-2H3,(H,20,22)/t14-/m1/s1