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

Systemtic Name: methyl 3-[2-(2-methylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2-methylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-(2-methyl-1-oxopropyl)imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(2-isobutyrylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-10(2)14(19)16-15-17(9-8-13(18)20-3)11-6-4-5-7-12(11)21-15/h4-7,10H,8-9H2,1-3H3