diethyl 4-[2-ethylsulfanyl-3-(phenylmethyl)imidazol-4-yl]-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-[2-ethylsulfanyl-3-(phenylmethyl)imidazol-4-yl]-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-benzyl-2-ethylsulfanyl-imidazol-4-yl)-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-(ethylthio)-3-(phenylmethyl)-4-imidazolyl]-2-[2-(1-imidazolyl)ethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-benzyl-2-ethylsulfanylimidazol-4-yl)-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-benzyl-2-(ethylthio)imidazol-4-yl]-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C29H35N5O4S MolecularWeight: 549.6843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CN=C(N2CC3=CC=CC=C3)SCC)C(=O)OCC)CCN4C=CN=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CN=C(N2CC3=CC=CC=C3)SCC)C(=O)OCC)CCN4C=CN=C4)C

InChI

InChI=1S/C29H35N5O4S/c1-5-37-27(35)24-20(4)32-22(13-15-33-16-14-30-19-33)25(28(36)38-6-2)26(24)23-17-31-29(39-7-3)34(23)18-21-11-9-8-10-12-21/h8-12,14,16-17,19,26,32H,5-7,13,15,18H2,1-4H3