2-methylpropyl 4-[2-(cyclohexylmethylsulfanylmethyl)-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-propanoyl]-1,3-thiazolidine-3-carboxylate

Systemtic Name: 2-methylpropyl 4-[2-(cyclohexylmethylsulfanylmethyl)-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-propanoyl]-1,3-thiazolidine-3-carboxylate Openeye Name: isobutyl 4-[2-(cyclohexylmethylsulfanylmethyl)-3-[(4-methoxyphenyl)methylamino]-3-oxo-propanoyl]thiazolidine-3-carboxylate CAS Name: 4-[2-[(cyclohexylmethylthio)methyl]-3-[(4-methoxyphenyl)methylamino]-1,3-dioxopropyl]-3-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[2-(cyclohexylmethylsulfanylmethyl)-3-[(4-methoxyphenyl)methylamino]-3-oxopropanoyl]-1,3-thiazolidine-3-carboxylate Traditional Name: 4-[2-[(cyclohexylmethylthio)methyl]-3-keto-3-(p-anisylamino)propanoyl]thiazolidine-3-carboxylic acid isobutyl ester Formula: C27H40N2O5S2 MolecularWeight: 536.7469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CSCC1C(=O)C(CSCC2CCCCC2)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)COC(=O)N1CSCC1C(=O)C(CSCC2CCCCC2)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C27H40N2O5S2/c1-19(2)14-34-27(32)29-18-36-17-24(29)25(30)23(16-35-15-21-7-5-4-6-8-21)26(31)28-13-20-9-11-22(33-3)12-10-20/h9-12,19,21,23-24H,4-8,13-18H2,1-3H3,(H,28,31)