2-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine-6-carboxylic acid

Systemtic Name: 2-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine-6-carboxylic acid Openeye Name: 2-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine-6-carboxylic acid CAS Name: 2-[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine-6-carboxylic acid IUPAC Name: 2-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine-6-carboxylic acid Traditional Name: 2-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidaz[4,5-d]azepine-6-carboxylic acid Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)C4=NC5=C(N4)CCN(CC5)C(=O)O

Isomeric SMILES

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)C4=NC5=C(N4)CCN(CC5)C(=O)O

InChI

InChI=1S/C20H23N5O4S/c1-28-15-3-2-14(24-8-10-29-11-9-24)17-16(15)23-19(30-17)18-21-12-4-6-25(20(26)27)7-5-13(12)22-18/h2-3H,4-11H2,1H3,(H,21,22)(H,26,27)