methyl 5-[2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(1-ethylbenzimidazol-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SC(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SC(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

InChI=1S/C20H23N3O3S/c1-6-23-15-10-8-7-9-14(15)22-20(23)27-13(4)18(24)17-11(2)16(12(3)21-17)19(25)26-5/h7-10,13,21H,6H2,1-5H3