6-azanyl-6-(1,3-benzothiazol-7-yl)-5-(2-morpholin-4-ylpyridin-4-yl)carbonyl-2,5-dihydropyridine-1-carboxylic acid

Systemtic Name: 6-azanyl-6-(1,3-benzothiazol-7-yl)-5-(2-morpholin-4-ylpyridin-4-yl)carbonyl-2,5-dihydropyridine-1-carboxylic acid Openeye Name: 6-amino-6-(1,3-benzothiazol-7-yl)-5-(2-morpholinopyridine-4-carbonyl)-2,5-dihydropyridine-1-carboxylic acid CAS Name: 6-amino-6-(1,3-benzothiazol-7-yl)-5-[[2-(4-morpholinyl)-4-pyridinyl]-oxomethyl]-2,5-dihydropyridine-1-carboxylic acid IUPAC Name: 6-amino-6-(1,3-benzothiazol-7-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)-2,5-dihydropyridine-1-carboxylic acid Traditional Name: 6-amino-6-(1,3-benzothiazol-7-yl)-5-(2-morpholinoisonicotinoyl)-2,5-dihydropyridine-1-carboxylic acid Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=CC(=C2)C(=O)C3C=CCN(C3(C4=C5C(=CC=C4)N=CS5)N)C(=O)O

Isomeric SMILES

C1COCCN1C2=NC=CC(=C2)C(=O)C3C=CCN(C3(C4=C5C(=CC=C4)N=CS5)N)C(=O)O

InChI

InChI=1S/C23H23N5O4S/c24-23(17-3-1-5-18-21(17)33-14-26-18)16(4-2-8-28(23)22(30)31)20(29)15-6-7-25-19(13-15)27-9-11-32-12-10-27/h1-7,13-14,16H,8-12,24H2,(H,30,31)