[1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-oxo-1-[(4-phenyl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C22H20N2O3S3 MolecularWeight: 456.6008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H20N2O3S3/c1-14(19(25)24-22-23-18(13-30-22)15-5-3-2-4-6-15)27-20(26)16-7-9-17(10-8-16)21-28-11-12-29-21/h2-10,13-14,21H,11-12H2,1H3,(H,23,24,25)