O3-ethyl O5-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl] 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl] 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl] 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl] ester IUPAC Name: 3-O-ethyl 5-O-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl] 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl] ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C)C

InChI

InChI=1S/C21H24N2O7S/c1-5-29-20(25)17-12(2)18(14(4)22-13(17)3)21(26)30-11-10-23-19(24)15-8-6-7-9-16(15)31(23,27)28/h6-9,12,22H,5,10-11H2,1-4H3