ethyl 5-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(1-oxoisochromane-3-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(1-ketoisochroman-3-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H17NO5S/c1-2-26-21(25)18-11-13-9-14(7-8-17(13)28-18)22-19(23)16-10-12-5-3-4-6-15(12)20(24)27-16/h3-9,11,16H,2,10H2,1H3,(H,22,23)