2-methylpropyl 3-(4-butoxyphenyl)carbonyl-2-phenyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: 2-methylpropyl 3-(4-butoxyphenyl)carbonyl-2-phenyl-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 3-(4-butoxybenzoyl)-2-phenyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-butoxyphenyl)-oxomethyl]-2-phenyl-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(4-butoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-butoxybenzoyl)-2-phenyl-thiazolidine-4-carboxylic acid isobutyl ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC=CC=C3)C(=O)OCC(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC=CC=C3)C(=O)OCC(C)C

InChI

InChI=1S/C25H31NO4S/c1-4-5-15-29-21-13-11-19(12-14-21)23(27)26-22(25(28)30-16-18(2)3)17-31-24(26)20-9-7-6-8-10-20/h6-14,18,22,24H,4-5,15-17H2,1-3H3