methyl 2,5-dimethyl-4-(2-phenylsulfanylphenyl)carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-(2-phenylsulfanylphenyl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,5-dimethyl-4-(2-phenylsulfanylbenzoyl)-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[oxo-[2-(phenylthio)phenyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-(2-phenylsulfanylbenzoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(phenylthio)benzoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C21H19NO3S/c1-13-18(19(14(2)22-13)21(24)25-3)20(23)16-11-7-8-12-17(16)26-15-9-5-4-6-10-15/h4-12,22H,1-3H3