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

Systemtic Name: methyl 2-(6-methylsulfanyl-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(6-methylsulfanyl-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[6-(methylthio)-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(6-methylsulfanyl-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-[6-(methylthio)-2-valerylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)SC)CC(=O)OC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)SC)CC(=O)OC

InChI

InChI=1S/C16H20N2O3S2/c1-4-5-6-14(19)17-16-18(10-15(20)21-2)12-8-7-11(22-3)9-13(12)23-16/h7-9H,4-6,10H2,1-3H3