[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H16N2O3S2 MolecularWeight: 396.48264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)OCC(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)OCC(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16N2O3S2/c23-18(21-10-9-19-22-14-6-2-4-8-16(14)27-19)12-25-20(24)17-11-13-5-1-3-7-15(13)26-17/h1-8,11H,9-10,12H2,(H,21,23)