ethyl 5-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(1-keto-2H-isoquinoline-3-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H16N2O4S/c1-2-27-21(26)18-11-13-9-14(7-8-17(13)28-18)22-20(25)16-10-12-5-3-4-6-15(12)19(24)23-16/h3-11H,2H2,1H3,(H,22,25)(H,23,24)