[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] 4-methylbenzoate

Systemtic Name: [[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] 4-methylbenzoate Openeye Name: [[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino] ester IUPAC Name: [[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ONC(=O)C(CC2=CC=CC=C2)CSC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)ONC(=O)C(CC2=CC=CC=C2)CSC(=O)C

InChI

InChI=1S/C20H21NO4S/c1-14-8-10-17(11-9-14)20(24)25-21-19(23)18(13-26-15(2)22)12-16-6-4-3-5-7-16/h3-11,18H,12-13H2,1-2H3,(H,21,23)