methyl 2,6-dimethyl-4-[2-(phenylsulfanylmethoxy)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2,6-dimethyl-4-[2-(phenylsulfanylmethoxy)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2,6-dimethyl-4-[2-(phenylsulfanylmethoxy)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-[2-[(phenylthio)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2,6-dimethyl-4-[2-(phenylsulfanylmethoxy)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-[2-[(phenylthio)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2OCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2OCSC3=CC=CC=C3

InChI

InChI=1S/C22H23NO3S/c1-15-13-19(21(16(2)23-15)22(24)25-3)18-11-7-8-12-20(18)26-14-27-17-9-5-4-6-10-17/h4-13,19,23H,14H2,1-3H3