ethyl 5-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(N2)C=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(N2)C=C(C=C3)OC)C

InChI

InChI=1S/C19H21N3O4S/c1-5-26-18(24)16-10(2)17(20-11(16)3)15(23)9-27-19-21-13-7-6-12(25-4)8-14(13)22-19/h6-8,20H,5,9H2,1-4H3,(H,21,22)