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

Systemtic Name: tert-butyl 4-[[[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-3-phenyl-phenyl]amino]methyl]-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl 4-[[4-[(1-methoxycarbonyl-3-methylsulfanyl-propyl)carbamoyl]-3-phenyl-anilino]methyl]thiazolidine-3-carboxylate CAS Name: 4-[[4-[[[1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-3-phenylanilino]methyl]-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]-3-phenylanilino]methyl]-1,3-thiazolidine-3-carboxylate Traditional Name: 4-[[4-[[1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-3-phenyl-anilino]methyl]thiazolidine-3-carboxylic acid tert-butyl ester Formula: C28H37N3O5S2 MolecularWeight: 559.74048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CSCC1CNC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CSCC1CNC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C28H37N3O5S2/c1-28(2,3)36-27(34)31-18-38-17-21(31)16-29-20-11-12-22(23(15-20)19-9-7-6-8-10-19)25(32)30-24(13-14-37-5)26(33)35-4/h6-12,15,21,24,29H,13-14,16-18H2,1-5H3,(H,30,32)