methyl 2-(6-methyl-2-propanoylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(6-methyl-2-propanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(6-methyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[6-methyl-2-(1-oxopropylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(6-methyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(6-methyl-2-propionylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-4-12(17)15-14-16(8-13(18)19-3)10-6-5-9(2)7-11(10)20-14/h5-7H,4,8H2,1-3H3