methyl (2S)-2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-chloro-5-(methylthio)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-23-18(22)16(10-12-6-4-3-5-7-12)20-17(21)14-11-13(24-2)8-9-15(14)19/h3-9,11,16H,10H2,1-2H3,(H,20,21)/t16-/m0/s1