methyl 2-[5,7-dimethyl-2-(methylamino)-6-oxidanyl-1,3-benzothiazol-4-yl]-2-pyridin-3-yl-ethanoate

Systemtic Name: methyl 2-[5,7-dimethyl-2-(methylamino)-6-oxidanyl-1,3-benzothiazol-4-yl]-2-pyridin-3-yl-ethanoate Openeye Name: methyl 2-[6-hydroxy-5,7-dimethyl-2-(methylamino)-1,3-benzothiazol-4-yl]-2-(3-pyridyl)acetate CAS Name: 2-[6-hydroxy-5,7-dimethyl-2-(methylamino)-1,3-benzothiazol-4-yl]-2-(3-pyridinyl)acetic acid methyl ester IUPAC Name: methyl 2-[6-hydroxy-5,7-dimethyl-2-(methylamino)-1,3-benzothiazol-4-yl]-2-pyridin-3-ylacetate Traditional Name: 2-[6-hydroxy-5,7-dimethyl-2-(methylamino)-1,3-benzothiazol-4-yl]-2-(3-pyridyl)acetic acid methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1O)C)SC(=N2)NC)C(C3=CN=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(C(=C1O)C)SC(=N2)NC)C(C3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C18H19N3O3S/c1-9-12(13(17(23)24-4)11-6-5-7-20-8-11)14-16(10(2)15(9)22)25-18(19-3)21-14/h5-8,13,22H,1-4H3,(H,19,21)