methyl (Z)-9-cyano-10-oxidanyl-8-oxidanylidene-10-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]dec-9-enoate

Systemtic Name: methyl (Z)-9-cyano-10-oxidanyl-8-oxidanylidene-10-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]dec-9-enoate Openeye Name: methyl (Z)-9-cyano-10-hydroxy-10-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]-8-oxo-dec-9-enoate CAS Name: (Z)-9-cyano-10-hydroxy-8-oxo-10-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]-9-decenoic acid methyl ester IUPAC Name: methyl (Z)-9-cyano-10-hydroxy-8-oxo-10-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]dec-9-enoate Traditional Name: (Z)-9-cyano-10-hydroxy-10-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]-8-keto-dec-9-enoic acid methyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=C(C#N)C(=O)CCCCCCC(=O)OC)O

Isomeric SMILES

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)/C(=C(\C#N)/C(=O)CCCCCCC(=O)OC)/O

InChI

InChI=1S/C22H27N3O4S2/c1-14(2)25(15-10-11-17-19(12-15)31-22(30)24-17)21(28)16(13-23)18(26)8-6-4-5-7-9-20(27)29-3/h10-12,14,28H,4-9H2,1-3H3,(H,24,30)/b21-16-