methyl 3-(4-pentylphenyl)carbonyl-2-phenethyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: methyl 3-(4-pentylphenyl)carbonyl-2-phenethyl-1,3-thiazolidine-4-carboxylate Openeye Name: methyl 3-(4-pentylbenzoyl)-2-phenethyl-thiazolidine-4-carboxylate CAS Name: 3-[oxo-(4-pentylphenyl)methyl]-2-phenethyl-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-pentylbenzoyl)-2-phenethyl-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-amylbenzoyl)-2-phenethyl-thiazolidine-4-carboxylic acid methyl ester Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2C(CSC2CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2C(CSC2CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H31NO3S/c1-3-4-6-9-20-12-15-21(16-13-20)24(27)26-22(25(28)29-2)18-30-23(26)17-14-19-10-7-5-8-11-19/h5,7-8,10-13,15-16,22-23H,3-4,6,9,14,17-18H2,1-2H3