propan-2-yl 2-[(2,3-dimethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(2,3-dimethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[(2,3-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2,3-dimethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2,3-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(o-veratroylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H25NO5S/c1-12(2)27-21(24)17-13-8-5-6-11-16(13)28-20(17)22-19(23)14-9-7-10-15(25-3)18(14)26-4/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,22,23)