O5-[2-(2,5-dimethylpyrrol-2-yl)ethyl] O3-methyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-[2-(2,5-dimethylpyrrol-2-yl)ethyl] O3-methyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[2-(2,5-dimethylpyrrol-2-yl)ethyl] O3-methyl 2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-(2,5-dimethyl-2-pyrrolyl)ethyl] ester O3-methyl ester IUPAC Name: 5-O-[2-(2,5-dimethylpyrrol-2-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-(2,5-dimethylpyrrol-2-yl)ethyl] ester O3-methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C=C1)(C)CCOC(=O)C2=C(NC(=C(C2C3=CC=CS3)C(=O)OC)C)C

Isomeric SMILES

CC1=NC(C=C1)(C)CCOC(=O)C2=C(NC(=C(C2C3=CC=CS3)C(=O)OC)C)C

InChI

InChI=1S/C22H26N2O4S/c1-13-8-9-22(4,24-13)10-11-28-21(26)18-15(3)23-14(2)17(20(25)27-5)19(18)16-7-6-12-29-16/h6-9,12,19,23H,10-11H2,1-5H3