methyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

InChI

InChI=1S/C24H28N2O4S/c1-17(27)31-16-20(14-18-8-4-3-5-9-18)23(28)25-21-15-19(24(29)30-2)10-11-22(21)26-12-6-7-13-26/h3-5,8-11,15,20H,6-7,12-14,16H2,1-2H3,(H,25,28)