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

Systemtic Name: ethyl 5-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3S/c1-4-25-17(24)15-9(2)16(20-10(15)3)14(23)8-26-18-21-12-6-5-11(19)7-13(12)22-18/h5-7,20H,4,8H2,1-3H3,(H,21,22)