4-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbonylamino]-5-oxidanyl-azepane-1-carboxylic acid

Systemtic Name: 4-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbonylamino]-5-oxidanyl-azepane-1-carboxylic acid Openeye Name: 4-hydroxy-5-[(4-methoxy-7-morpholino-1,3-benzothiazole-2-carbonyl)amino]azepane-1-carboxylic acid CAS Name: 4-hydroxy-5-[[[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-hydroxy-5-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazole-2-carbonyl)amino]azepane-1-carboxylic acid Traditional Name: 4-hydroxy-5-[(4-methoxy-7-morpholino-1,3-benzothiazole-2-carbonyl)amino]azepane-1-carboxylic acid Formula: C20H26N4O6S MolecularWeight: 450.50864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)C(=O)NC4CCN(CCC4O)C(=O)O

Isomeric SMILES

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)C(=O)NC4CCN(CCC4O)C(=O)O

InChI

InChI=1S/C20H26N4O6S/c1-29-15-3-2-13(23-8-10-30-11-9-23)17-16(15)22-19(31-17)18(26)21-12-4-6-24(20(27)28)7-5-14(12)25/h2-3,12,14,25H,4-11H2,1H3,(H,21,26)(H,27,28)