diethyl 4-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C30H33N3O4S MolecularWeight: 531.66572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CN(N=C2C3=CC=C(C=C3)SCC)C4=CC=CC=C4)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CN(N=C2C3=CC=C(C=C3)SCC)C4=CC=CC=C4)C(=O)OCC)C)C

InChI

InChI=1S/C30H33N3O4S/c1-6-36-29(34)25-19(4)31-20(5)26(30(35)37-7-2)27(25)24-18-33(22-12-10-9-11-13-22)32-28(24)21-14-16-23(17-15-21)38-8-3/h9-18,27,31H,6-8H2,1-5H3