methyl 5-[(2-cyclopentylsulfanylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2-cyclopentylsulfanylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2-cyclopentylsulfanylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-(cyclopentylthio)anilino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2-cyclopentylsulfanylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[2-(cyclopentylthio)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=CC=CC=C2SC3CCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=CC=CC=C2SC3CCCC3

InChI

InChI=1S/C20H24N2O3S/c1-12-17(20(24)25-3)13(2)21-18(12)19(23)22-15-10-6-7-11-16(15)26-14-8-4-5-9-14/h6-7,10-11,14,21H,4-5,8-9H2,1-3H3,(H,22,23)