methyl 2-chloranyl-3-[[1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]propanoate

Systemtic Name: methyl 2-chloranyl-3-[[1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]propanoate Openeye Name: methyl 3-[[1-(benzylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]amino]-2-chloro-propanoate CAS Name: 2-chloro-3-[[1-ethoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-benzylsulfanyl-1-ethoxy-1-oxopropan-2-yl)amino]-2-chloropropanoate Traditional Name: 3-[[1-[(benzylthio)methyl]-2-ethoxy-2-keto-ethyl]amino]-2-chloro-propionic acid methyl ester Formula: C16H22ClNO4S MolecularWeight: 359.86818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NCC(C(=O)OC)Cl

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NCC(C(=O)OC)Cl

InChI

InChI=1S/C16H22ClNO4S/c1-3-22-16(20)14(18-9-13(17)15(19)21-2)11-23-10-12-7-5-4-6-8-12/h4-8,13-14,18H,3,9-11H2,1-2H3