methyl 3-(2-butanoylimino-6-ethoxy-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(2-butanoylimino-6-ethoxy-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(2-butanoylimino-6-ethoxy-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[6-ethoxy-2-(1-oxobutylimino)-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(2-butanoylimino-6-ethoxy-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-butyrylimino-6-ethoxy-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)OCC)CCC(=O)OC

Isomeric SMILES

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)OCC)CCC(=O)OC

InChI

InChI=1S/C17H22N2O4S/c1-4-6-15(20)18-17-19(10-9-16(21)22-3)13-8-7-12(23-5-2)11-14(13)24-17/h7-8,11H,4-6,9-10H2,1-3H3