ditert-butyl 2,6-dimethyl-4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl 2,6-dimethyl-4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 2,6-dimethyl-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C30H35N3O4S MolecularWeight: 533.6816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H35N3O4S/c1-18-23(27(34)36-29(3,4)5)25(24(19(2)31-18)28(35)37-30(6,7)8)21-17-33(20-13-10-9-11-14-20)32-26(21)22-15-12-16-38-22/h9-17,25,31H,1-8H3