tert-butyl 4-[[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-3-phenyl-phenyl]carbamoyl]-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-3-phenyl-phenyl]carbamoyl]-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl 4-[[4-[(1-methoxycarbonyl-3-methylsulfanyl-propyl)carbamoyl]-3-phenyl-phenyl]carbamoyl]thiazolidine-3-carboxylate CAS Name: 4-[[4-[[[1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-3-phenylanilino]-oxomethyl]-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]-3-phenylphenyl]carbamoyl]-1,3-thiazolidine-3-carboxylate Traditional Name: 4-[[4-[[1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-3-phenyl-phenyl]carbamoyl]thiazolidine-3-carboxylic acid tert-butyl ester Formula: C28H35N3O6S2 MolecularWeight: 573.724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CSCC1C(=O)NC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CSCC1C(=O)NC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C28H35N3O6S2/c1-28(2,3)37-27(35)31-17-39-16-23(31)25(33)29-19-11-12-20(21(15-19)18-9-7-6-8-10-18)24(32)30-22(13-14-38-5)26(34)36-4/h6-12,15,22-23H,13-14,16-17H2,1-5H3,(H,29,33)(H,30,32)