4-[[4-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamoyl]pyridin-2-yl]methylamino]butanoic acid

Systemtic Name: 4-[[4-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamoyl]pyridin-2-yl]methylamino]butanoic acid Openeye Name: 4-[[4-[(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)carbamoyl]-2-pyridyl]methylamino]butanoic acid CAS Name: 4-[[4-[[[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-oxomethyl]-2-pyridinyl]methylamino]butanoic acid IUPAC Name: 4-[[4-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamoyl]pyridin-2-yl]methylamino]butanoic acid Traditional Name: 4-[[4-[(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)carbamoyl]-2-pyridyl]methylamino]butyric acid Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)NC(=O)C4=CC(=NC=C4)CNCCCC(=O)O

Isomeric SMILES

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)NC(=O)C4=CC(=NC=C4)CNCCCC(=O)O

InChI

InChI=1S/C23H27N5O5S/c1-32-18-5-4-17(28-9-11-33-12-10-28)21-20(18)26-23(34-21)27-22(31)15-6-8-25-16(13-15)14-24-7-2-3-19(29)30/h4-6,8,13,24H,2-3,7,9-12,14H2,1H3,(H,29,30)(H,26,27,31)