ethyl 2-ethylsulfanyl-1-[(4-methoxyphenyl)methyl]-4H-pyrrolo[2,3-d]imidazole-5-carboxylate

Systemtic Name: ethyl 2-ethylsulfanyl-1-[(4-methoxyphenyl)methyl]-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Openeye Name: ethyl 2-ethylsulfanyl-1-[(4-methoxyphenyl)methyl]-4H-pyrrolo[2,3-d]imidazole-5-carboxylate CAS Name: 2-(ethylthio)-1-[(4-methoxyphenyl)methyl]-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethylsulfanyl-1-[(4-methoxyphenyl)methyl]-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Traditional Name: 2-(ethylthio)-1-p-anisyl-4H-pyrrol[2,3-d]imidazole-5-carboxylic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)N=C(N2CC3=CC=C(C=C3)OC)SCC

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)N=C(N2CC3=CC=C(C=C3)OC)SCC

InChI

InChI=1S/C18H21N3O3S/c1-4-24-17(22)14-10-15-16(19-14)20-18(25-5-2)21(15)11-12-6-8-13(23-3)9-7-12/h6-10,19H,4-5,11H2,1-3H3