ethyl 5-[2-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(5-chloro-2-thiophenyl)-1,4-dioxobutoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(5-chloro-2-thienyl)-4-keto-butanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H20ClNO6S MolecularWeight: 425.8832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl)C

InChI

InChI=1S/C19H20ClNO6S/c1-4-26-19(25)17-10(2)18(21-11(17)3)13(23)9-27-16(24)8-5-12(22)14-6-7-15(20)28-14/h6-7,21H,4-5,8-9H2,1-3H3