methyl 3-[6-ethyl-2-(2-methylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-ethyl-2-(2-methylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-ethyl-2-(2-methylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethyl-2-(2-methyl-1-oxopropyl)imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethyl-2-(2-methylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-ethyl-2-isobutyrylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C(C)C)S2)CCC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C(C)C)S2)CCC(=O)OC

InChI

InChI=1S/C17H22N2O3S/c1-5-12-6-7-13-14(10-12)23-17(18-16(21)11(2)3)19(13)9-8-15(20)22-4/h6-7,10-11H,5,8-9H2,1-4H3