dimethyl 2-[2-[2-chloranyl-5-(3-ethylthiophen-2-yl)carbonyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-chloranyl-5-(3-ethylthiophen-2-yl)carbonyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-chloro-5-(3-ethylthiophene-2-carbonyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-chloro-5-[(3-ethyl-2-thiophenyl)-oxomethyl]-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-chloro-5-(3-ethylthiophene-2-carbonyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-chloro-5-(3-ethylthiophene-2-carbonyl)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C18H20ClNO5S MolecularWeight: 397.8731

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CCC1=C(SC=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C18H20ClNO5S/c1-4-11-8-10-26-16(11)15(21)13-5-6-14(19)20(13)9-7-12(17(22)24-2)18(23)25-3/h5-6,8,10,12H,4,7,9H2,1-3H3