ethyl 3-[3-(ethoxymethyl)-2-methylsulfanyl-imidazol-4-yl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-(ethoxymethyl)-2-methylsulfanyl-imidazol-4-yl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(ethoxymethyl)-2-methylsulfanyl-imidazol-4-yl]-1H-indole-2-carboxylate CAS Name: 3-[3-(ethoxymethyl)-2-(methylthio)-4-imidazolyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(ethoxymethyl)-2-methylsulfanylimidazol-4-yl]-1H-indole-2-carboxylate Traditional Name: 3-[3-(ethoxymethyl)-2-(methylthio)imidazol-4-yl]-1H-indole-2-carboxylic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=CN=C1SC)C2=C(NC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCOCN1C(=CN=C1SC)C2=C(NC3=CC=CC=C32)C(=O)OCC

InChI

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