O5-propan-2-yl O3-[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: O5-propan-2-yl O3-[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: O5-isopropyl O3-[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 O5-propan-2-yl ester O3-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl] ester IUPAC Name: 5-O-propan-2-yl 3-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 O5-isopropyl ester O3-[3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propyl] ester Formula: C28H29N3O9S MolecularWeight: 583.60956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C28H29N3O9S/c1-16(2)40-28(34)24-18(4)29-17(3)23(25(24)19-10-5-7-12-21(19)31(35)36)27(33)39-15-9-14-30-26(32)20-11-6-8-13-22(20)41(30,37)38/h5-8,10-13,16,25,29H,9,14-15H2,1-4H3