[1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid 1-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OC(=O)C3=CC=NC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H24N2O5S/c1-3-15(28-20(25)13-9-11-22-12-10-13)18(24)23-19-17(21(26)27-4-2)14-7-5-6-8-16(14)29-19/h9-12,15H,3-8H2,1-2H3,(H,23,24)