methyl 2-[2-[(3-cyanophenyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(3-cyanophenyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-cyanoanilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-cyanoanilino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyanoanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-cyanoanilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CNC3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CNC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H19N3O3S/c1-25-19(24)17-14-7-2-3-8-15(14)26-18(17)22-16(23)11-21-13-6-4-5-12(9-13)10-20/h4-6,9,21H,2-3,7-8,11H2,1H3,(H,22,23)