ethyl 4-[(3-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(3-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(3-methylsulfanylanilino)-4-oxo-butanoate CAS Name: 4-[3-(methylthio)anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-methylsulfanylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-[3-(methylthio)anilino]butyric acid ethyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC(=CC=C1)SC

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC(=CC=C1)SC

InChI

InChI=1S/C13H17NO3S/c1-3-17-13(16)8-7-12(15)14-10-5-4-6-11(9-10)18-2/h4-6,9H,3,7-8H2,1-2H3,(H,14,15)