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

Systemtic Name: propan-2-yl 6-ethyl-2-(pyridin-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 6-ethyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[oxo(pyridin-4-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-ethyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-isonicotinamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC=NC=C3

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C20H24N2O3S/c1-4-13-5-6-15-16(11-13)26-19(17(15)20(24)25-12(2)3)22-18(23)14-7-9-21-10-8-14/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,23)