[1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(4-phenylthiazol-2-yl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-oxo-1-[(4-phenyl-2-thiazolyl)amino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(4-phenylthiazol-2-yl)carbamoyl]propyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C22H22N2O3S2/c1-2-17(27-21(26)19-12-15-10-6-7-11-18(15)29-19)20(25)24-22-23-16(13-28-22)14-8-4-3-5-9-14/h3-5,8-9,12-13,17H,2,6-7,10-11H2,1H3,(H,23,24,25)