ethyl 2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-keto-1,3-benzothiazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C20H20N2O4S2/c1-2-26-19(24)17-12-7-3-5-9-14(12)27-18(17)21-16(23)11-22-13-8-4-6-10-15(13)28-20(22)25/h4,6,8,10H,2-3,5,7,9,11H2,1H3,(H,21,23)