methyl 3-[(4-cyanophenyl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-cyanophenyl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-cyanobenzoyl)amino]benzothiophene-2-carboxylate CAS Name: 3-[[(4-cyanophenyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-cyanobenzoyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-cyanobenzoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H12N2O3S/c1-23-18(22)16-15(13-4-2-3-5-14(13)24-16)20-17(21)12-8-6-11(10-19)7-9-12/h2-9H,1H3,(H,20,21)