ditert-butyl (4S)-2,6-dimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl (4S)-2,6-dimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl (4S)-2,6-dimethyl-4-(5-methyl-2-thienyl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2,6-dimethyl-4-(5-methyl-2-thiophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (4S)-2,6-dimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-(5-methyl-2-thienyl)-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C(C(=NC(=C2C(=O)OC(C)(C)C)C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(S1)[C@H]2C(C(=NC(=C2C(=O)OC(C)(C)C)C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31NO4S/c1-12-10-11-15(28-12)18-16(19(24)26-21(4,5)6)13(2)23-14(3)17(18)20(25)27-22(7,8)9/h10-11,16,18H,1-9H3/t16?,18-/m0/s1