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

Systemtic Name: methyl 3-(2-butanoylimino-6-methyl-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(2-butanoylimino-6-methyl-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[6-methyl-2-(1-oxobutylimino)-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(2-butanoylimino-6-methyl-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-butyrylimino-6-methyl-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-4-5-14(19)17-16-18(9-8-15(20)21-3)12-7-6-11(2)10-13(12)22-16/h6-7,10H,4-5,8-9H2,1-3H3