propan-2-yl 5-cyano-2,6-dimethyl-4-(2-phenyl-1,3-benzothiazol-4-yl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propan-2-yl 5-cyano-2,6-dimethyl-4-(2-phenyl-1,3-benzothiazol-4-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: isopropyl 5-cyano-2,6-dimethyl-4-(2-phenyl-1,3-benzothiazol-4-yl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2,6-dimethyl-4-(2-phenyl-1,3-benzothiazol-4-yl)-1,4-dihydropyridine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-cyano-2,6-dimethyl-4-(2-phenyl-1,3-benzothiazol-4-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2,6-dimethyl-4-(2-phenyl-1,3-benzothiazol-4-yl)-1,4-dihydropyridine-3-carboxylic acid isopropyl ester Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=C3C(=CC=C2)SC(=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=C3C(=CC=C2)SC(=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H23N3O2S/c1-14(2)30-25(29)21-16(4)27-15(3)19(13-26)22(21)18-11-8-12-20-23(18)28-24(31-20)17-9-6-5-7-10-17/h5-12,14,22,27H,1-4H3