methyl 4-(4-chlorophenyl)sulfanyl-3-[[(E)-ethylideneamino]-methyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(4-chlorophenyl)sulfanyl-3-[[(E)-ethylideneamino]-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-(4-chlorophenyl)sulfanyl-3-[[(E)-ethylideneamino]-methyl-amino]-4-oxo-butanoate CAS Name: 4-[(4-chlorophenyl)thio]-3-[[(E)-ethylideneamino]-methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)sulfanyl-3-[[(E)-ethylideneamino]-methylamino]-4-oxobutanoate Traditional Name: 4-[(4-chlorophenyl)thio]-3-[[(E)-ethylideneamino]-methyl-amino]-4-keto-butyric acid methyl ester Formula: C14H17ClN2O3S MolecularWeight: 328.81438

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Descriptors Computed from Structure

Canonical SMILES:

CC=NN(C)C(CC(=O)OC)C(=O)SC1=CC=C(C=C1)Cl

Isomeric SMILES

C/C=N/N(C)C(CC(=O)OC)C(=O)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H17ClN2O3S/c1-4-16-17(2)12(9-13(18)20-3)14(19)21-11-7-5-10(15)6-8-11/h4-8,12H,9H2,1-3H3/b16-4+