methyl 2,6-dimethyl-5-nitro-4-(2-phenyl-1,3-benzothiazol-7-yl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2,6-dimethyl-5-nitro-4-(2-phenyl-1,3-benzothiazol-7-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2,6-dimethyl-5-nitro-4-(2-phenyl-1,3-benzothiazol-7-yl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(2-phenyl-1,3-benzothiazol-7-yl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2,6-dimethyl-5-nitro-4-(2-phenyl-1,3-benzothiazol-7-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(2-phenyl-1,3-benzothiazol-7-yl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C3C(=CC=C2)N=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C3C(=CC=C2)N=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H19N3O4S/c1-12-17(22(26)29-3)18(19(25(27)28)13(2)23-12)15-10-7-11-16-20(15)30-21(24-16)14-8-5-4-6-9-14/h4-11,18,23H,1-3H3