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

Systemtic Name: ethyl 1-methyl-2-(phenylmethylsulfanyl)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate CAS Name: 1-methyl-2-(phenylmethylthio)-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Traditional Name: 2-(benzylthio)-1-methyl-4H-pyrrol[2,3-d]imidazole-5-carboxylic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)N=C(N2C)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)N=C(N2C)SCC3=CC=CC=C3

InChI

InChI=1S/C16H17N3O2S/c1-3-21-15(20)12-9-13-14(17-12)18-16(19(13)2)22-10-11-7-5-4-6-8-11/h4-9,17H,3,10H2,1-2H3