methyl 2-(4,6-dimethyl-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(4,6-dimethyl-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(4,6-dimethyl-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[4,6-dimethyl-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(4,6-dimethyl-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(4,6-dimethyl-2-valerylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-5-6-7-14(20)18-17-19(10-15(21)22-4)16-12(3)8-11(2)9-13(16)23-17/h8-9H,5-7,10H2,1-4H3