4-ethanoylsulfanyl-2-[[2-[(4-methoxycarbonylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 4-ethanoylsulfanyl-2-[[2-[(4-methoxycarbonylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]pyrrolidine-1-carboxylic acid Openeye Name: 4-acetylsulfanyl-2-[[2-(4-methoxycarbonyl-N-methyl-anilino)-2-oxo-ethyl]-methyl-carbamoyl]pyrrolidine-1-carboxylic acid CAS Name: 4-(acetylthio)-2-[[[2-(4-methoxycarbonyl-N-methylanilino)-2-oxoethyl]-methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 4-acetylsulfanyl-2-[[2-(4-methoxycarbonyl-N-methylanilino)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-1-carboxylic acid Traditional Name: 4-(acetylthio)-2-[[2-(4-carbomethoxy-N-methyl-anilino)-2-keto-ethyl]-methyl-carbamoyl]pyrrolidine-1-carboxylic acid Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)O)C(=O)N(C)CC(=O)N(C)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)O)C(=O)N(C)CC(=O)N(C)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H25N3O7S/c1-12(24)31-15-9-16(23(10-15)20(28)29)18(26)21(2)11-17(25)22(3)14-7-5-13(6-8-14)19(27)30-4/h5-8,15-16H,9-11H2,1-4H3,(H,28,29)