O-(2-hydroxyethyl) 2,6-dimethyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-5-nitro-1,4-dihydropyridine-3-carbothioate

Systemtic Name: O-(2-hydroxyethyl) 2,6-dimethyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-5-nitro-1,4-dihydropyridine-3-carbothioate Openeye Name: O-(2-hydroxyethyl) 2,6-dimethyl-5-nitro-4-[2-(p-tolylmethoxy)phenyl]-1,4-dihydropyridine-3-carbothioate CAS Name: 2,6-dimethyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-5-nitro-1,4-dihydropyridine-3-carbothioic acid O-(2-hydroxyethyl) ester IUPAC Name: O-(2-hydroxyethyl) 2,6-dimethyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-5-nitro-1,4-dihydropyridine-3-carbothioate Traditional Name: 2,6-dimethyl-4-[2-(4-methylbenzyl)oxyphenyl]-5-nitro-1,4-dihydropyridine-3-carbothioic acid O-(2-hydroxyethyl) ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=CC=C2C3C(=C(NC(=C3[N+](=O)[O-])C)C)C(=S)OCCO

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC=C2C3C(=C(NC(=C3[N+](=O)[O-])C)C)C(=S)OCCO

InChI

InChI=1S/C24H26N2O5S/c1-15-8-10-18(11-9-15)14-31-20-7-5-4-6-19(20)22-21(24(32)30-13-12-27)16(2)25-17(3)23(22)26(28)29/h4-11,22,25,27H,12-14H2,1-3H3