ethyl 4-[(3-chlorophenyl)methyl]-2-methyl-5-morpholin-4-ylcarbothioyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(3-chlorophenyl)methyl]-2-methyl-5-morpholin-4-ylcarbothioyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(3-chlorophenyl)methyl]-2-methyl-5-(morpholine-4-carbothioyl)-1H-pyrrole-3-carboxylate CAS Name: 4-[(3-chlorophenyl)methyl]-2-methyl-5-[4-morpholinyl(sulfanylidene)methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chlorophenyl)methyl]-2-methyl-5-(morpholine-4-carbothioyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-(3-chlorobenzyl)-2-methyl-5-(morpholine-4-carbothioyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1CC2=CC(=CC=C2)Cl)C(=S)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1CC2=CC(=CC=C2)Cl)C(=S)N3CCOCC3)C

InChI

InChI=1S/C20H23ClN2O3S/c1-3-26-20(24)17-13(2)22-18(19(27)23-7-9-25-10-8-23)16(17)12-14-5-4-6-15(21)11-14/h4-6,11,22H,3,7-10,12H2,1-2H3