methyl 3-[4,7-dimethoxy-2-(2-methylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[4,7-dimethoxy-2-(2-methylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-(2-methylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-(2-methyl-1-oxopropyl)imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(2-methylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(2-isobutyrylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N=C1N(C2=C(C=CC(=C2S1)OC)OC)CCC(=O)OC

Isomeric SMILES

CC(C)C(=O)N=C1N(C2=C(C=CC(=C2S1)OC)OC)CCC(=O)OC

InChI

InChI=1S/C17H22N2O5S/c1-10(2)16(21)18-17-19(9-8-13(20)24-5)14-11(22-3)6-7-12(23-4)15(14)25-17/h6-7,10H,8-9H2,1-5H3