ethyl 2-[2-(2-ethanoylsulfanylethanoylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-ethanoylsulfanylethanoylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(acetylthio)-1-oxoethyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(acetylthio)acetyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C16H18N2O4S3 MolecularWeight: 398.52012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CSC(=O)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CSC(=O)C

InChI

InChI=1S/C16H18N2O4S3/c1-4-22-15(21)8-18-12-6-5-11(23-3)7-13(12)25-16(18)17-14(20)9-24-10(2)19/h5-7H,4,8-9H2,1-3H3