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

Systemtic Name: [1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-[(3-carbethoxy-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C26H25ClN2O5S MolecularWeight: 513.0051

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C(C)OC(=O)C4=CC(=NC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C(C)OC(=O)C4=CC(=NC=C4)Cl

InChI

InChI=1S/C26H25ClN2O5S/c1-3-33-26(32)22-19-10-9-17(16-7-5-4-6-8-16)13-20(19)35-24(22)29-23(30)15(2)34-25(31)18-11-12-28-21(27)14-18/h4-8,11-12,14-15,17H,3,9-10,13H2,1-2H3,(H,29,30)