O3-methyl O5-[3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propyl] 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-[3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propyl] 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl] 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl] ester IUPAC Name: 3-O-methyl 5-O-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl] 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propyl] ester Formula: C26H25N3O9S MolecularWeight: 555.5564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C26H25N3O9S/c1-15-21(25(31)37-3)23(17-9-4-6-11-19(17)29(33)34)22(16(2)27-15)26(32)38-14-8-13-28-24(30)18-10-5-7-12-20(18)39(28,35)36/h4-7,9-12,23,27H,8,13-14H2,1-3H3