methyl 3-[4-[(3-azanyl-4-chloranyl-phenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-[(3-azanyl-4-chloranyl-phenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoate Openeye Name: methyl 3-[4-(3-amino-4-chloro-anilino)-4-oxo-butyl]sulfanylpropanoate CAS Name: 3-[[4-(3-amino-4-chloroanilino)-4-oxobutyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-amino-4-chloroanilino)-4-oxobutyl]sulfanylpropanoate Traditional Name: 3-[[4-(3-amino-4-chloro-anilino)-4-keto-butyl]thio]propionic acid methyl ester Formula: C14H19ClN2O3S MolecularWeight: 330.83026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCCC(=O)NC1=CC(=C(C=C1)Cl)N

Isomeric SMILES

COC(=O)CCSCCCC(=O)NC1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C14H19ClN2O3S/c1-20-14(19)6-8-21-7-2-3-13(18)17-10-4-5-11(15)12(16)9-10/h4-5,9H,2-3,6-8,16H2,1H3,(H,17,18)