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

Systemtic Name: diethyl 2-(2-imidazol-1-ylethyl)-6-methyl-4-[2-methylsulfanyl-3-(phenylmethyl)imidazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-benzyl-2-methylsulfanyl-imidazol-4-yl)-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[2-(1-imidazolyl)ethyl]-6-methyl-4-[2-(methylthio)-3-(phenylmethyl)-4-imidazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-benzyl-2-methylsulfanylimidazol-4-yl)-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-benzyl-2-(methylthio)imidazol-4-yl]-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O4S/c1-5-36-26(34)23-19(3)31-21(12-14-32-15-13-29-18-32)24(27(35)37-6-2)25(23)22-16-30-28(38-4)33(22)17-20-10-8-7-9-11-20/h7-11,13,15-16,18,25,31H,5-6,12,14,17H2,1-4H3