[(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: [(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [(3R)-4-amino-3-cyano-2-oxo-pent-4-enyl] 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]acetic acid [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]acetic acid [(3R)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)CSCC(=O)NC1=CC=C(C=C1)Cl)N

Isomeric SMILES

C=C([C@H](C#N)C(=O)COC(=O)CSCC(=O)NC1=CC=C(C=C1)Cl)N

InChI

InChI=1S/C16H16ClN3O4S/c1-10(19)13(6-18)14(21)7-24-16(23)9-25-8-15(22)20-12-4-2-11(17)3-5-12/h2-5,13H,1,7-9,19H2,(H,20,22)/t13-/m0/s1