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

Systemtic Name: methyl 5-[2-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C18H18ClNO6S/c1-9-16(18(24)25-3)10(2)20-17(9)12(22)8-26-15(23)7-4-11(21)13-5-6-14(19)27-13/h5-6,20H,4,7-8H2,1-3H3