methyl (2R,4R)-2-phenyl-3-(2-prop-2-ynoxyphenyl)carbonyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: methyl (2R,4R)-2-phenyl-3-(2-prop-2-ynoxyphenyl)carbonyl-1,3-thiazolidine-4-carboxylate Openeye Name: methyl (2R,4R)-2-phenyl-3-(2-prop-2-ynoxybenzoyl)thiazolidine-4-carboxylate CAS Name: (2R,4R)-3-[oxo-(2-prop-2-ynoxyphenyl)methyl]-2-phenyl-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4R)-2-phenyl-3-(2-prop-2-ynoxybenzoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: (2R,4R)-2-phenyl-3-(2-propargyloxybenzoyl)thiazolidine-4-carboxylic acid methyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSC(N1C(=O)C2=CC=CC=C2OCC#C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CS[C@@H](N1C(=O)C2=CC=CC=C2OCC#C)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO4S/c1-3-13-26-18-12-8-7-11-16(18)19(23)22-17(21(24)25-2)14-27-20(22)15-9-5-4-6-10-15/h1,4-12,17,20H,13-14H2,2H3/t17-,20+/m0/s1