ethyl 4-[2-(4-methoxyphenyl)sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(4-methoxyphenyl)sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(4-methoxyphenyl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methoxyphenyl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(4-methoxyphenyl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=CC=C(C=C2)OC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=CC=C(C=C2)OC)C)C

InChI

InChI=1S/C18H21NO4S/c1-5-23-18(21)17-12(3)19-11(2)16(17)15(20)10-24-14-8-6-13(22-4)7-9-14/h6-9,19H,5,10H2,1-4H3