4-(2,1,3-benzothiadiazol-4-yl)-5-(1-ethoxyethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(2,1,3-benzothiadiazol-4-yl)-5-(1-ethoxyethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2,1,3-benzothiadiazol-4-yl)-5-(1-ethoxyethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2,1,3-benzothiadiazol-4-yl)-5-[1-ethoxyethoxy(oxo)methyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2,1,3-benzothiadiazol-4-yl)-5-(1-ethoxyethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(1-ethoxyethoxycarbonyl)-2,6-dimethyl-4-piazthiol-4-yl-1,4-dihydropyridine-3-carboxylic acid Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OC(=O)C1=C(NC(=C(C1C2=CC=CC3=NSN=C32)C(=O)O)C)C

Isomeric SMILES

CCOC(C)OC(=O)C1=C(NC(=C(C1C2=CC=CC3=NSN=C32)C(=O)O)C)C

InChI

InChI=1S/C19H21N3O5S/c1-5-26-11(4)27-19(25)15-10(3)20-9(2)14(18(23)24)16(15)12-7-6-8-13-17(12)22-28-21-13/h6-8,11,16,20H,5H2,1-4H3,(H,23,24)