methyl 4-(4-chlorophenyl)-3-thiomorpholin-4-yl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-3-thiomorpholin-4-yl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-3-thiomorpholino-1H-pyrrole-2-carboxylate CAS Name: 4-(4-chlorophenyl)-3-thiomorpholin-4-yl-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-3-thiomorpholin-4-yl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-thiomorpholino-1H-pyrrole-2-carboxylic acid methyl ester Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)Cl)N3CCSCC3

Isomeric SMILES

COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)Cl)N3CCSCC3

InChI

InChI=1S/C16H17ClN2O2S/c1-21-16(20)14-15(19-6-8-22-9-7-19)13(10-18-14)11-2-4-12(17)5-3-11/h2-5,10,18H,6-9H2,1H3