2-methoxyethyl 2-(pyridin-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-methoxyethyl 2-(pyridin-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-methoxyethyl 2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo(pyridin-4-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-isonicotinamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=NC=C3

Isomeric SMILES

COCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H20N2O4S/c1-23-10-11-24-18(22)15-13-4-2-3-5-14(13)25-17(15)20-16(21)12-6-8-19-9-7-12/h6-9H,2-5,10-11H2,1H3,(H,20,21)