methyl 3-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanylpropanoate Openeye Name: methyl 3-(2-anilino-1-methyl-2-oxo-ethyl)sulfanylpropanoate CAS Name: 3-[(1-anilino-1-oxopropan-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(1-anilino-1-oxopropan-2-yl)sulfanylpropanoate Traditional Name: 3-[(2-anilino-2-keto-1-methyl-ethyl)thio]propionic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SCCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SCCC(=O)OC

InChI

InChI=1S/C13H17NO3S/c1-10(18-9-8-12(15)17-2)13(16)14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)