ethyl 3-[[2-(ethanoylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[[2-(ethanoylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[2-(acetylsulfanylmethyl)-3-(o-tolyl)propanoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[(acetylthio)methyl]-3-(2-methylphenyl)-1-oxopropyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(acetylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-(o-tolyl)propanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2C)CSC(=O)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2C)CSC(=O)C

InChI

InChI=1S/C24H29NO4S/c1-4-29-23(27)15-22(19-11-6-5-7-12-19)25-24(28)21(16-30-18(3)26)14-20-13-9-8-10-17(20)2/h5-13,21-22H,4,14-16H2,1-3H3,(H,25,28)