2-(4-chlorophenyl)sulfanylethyl 3,5-dimethyl-4-[(1R)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 3,5-dimethyl-4-[(1R)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C17H20ClNO3S MolecularWeight: 353.8636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)O)C)C(=O)OCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(NC(=C1[C@@H](C)O)C)C(=O)OCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H20ClNO3S/c1-10-15(12(3)20)11(2)19-16(10)17(21)22-8-9-23-14-6-4-13(18)5-7-14/h4-7,12,19-20H,8-9H2,1-3H3/t12-/m1/s1