3-benzamido-N-[2,3-bis(oxidanyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-benzamido-N-[2,3-bis(oxidanyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 3-benzamido-N-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 3-benzamido-N-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 3-benzamido-N-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 3-benzamido-N-glyceryl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)C(=O)NCC(CO)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)C(=O)NCC(CO)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S/c22-11-13(23)10-20-19(25)17-16(14-8-4-5-9-15(14)26-17)21-18(24)12-6-2-1-3-7-12/h1-3,6-7,13,22-23H,4-5,8-11H2,(H,20,25)(H,21,24)