methyl 2-[[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-oxo-2-(2-pyridylmethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1,2-dioxo-2-(2-pyridinylmethylamino)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-keto-2-(2-pyridylmethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C18H19N3O4S/c1-25-18(24)14-12-7-2-3-8-13(12)26-17(14)21-16(23)15(22)20-10-11-6-4-5-9-19-11/h4-6,9H,2-3,7-8,10H2,1H3,(H,20,22)(H,21,23)