[2-[[3-ethoxycarbonyl-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[[3-ethoxycarbonyl-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[[3-ethoxycarbonyl-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]amino]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[[3-ethoxycarbonyl-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-[[3-carbethoxy-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C)CC2=CC=CS2)NC(=O)COC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C)CC2=CC=CS2)NC(=O)COC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O5S/c1-4-30-22(29)19-13(2)14(3)26(11-16-6-5-9-32-16)20(19)25-18(27)12-31-21(28)15-7-8-17(23)24-10-15/h5-10H,4,11-12H2,1-3H3,(H,25,27)