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

Systemtic Name: (Z)-9-cyano-10-oxidanyl-8-oxidanylidene-10-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]dec-9-enoic acid Openeye Name: (Z)-9-cyano-10-hydroxy-10-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]-8-oxo-dec-9-enoic acid 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 IUPAC Name: (Z)-9-cyano-10-hydroxy-8-oxo-10-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]dec-9-enoic acid Traditional Name: (Z)-9-cyano-10-hydroxy-10-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]-8-keto-dec-9-enoic acid Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c1-13(2)24(14-9-10-16-18(11-14)30-21(29)23-16)20(28)15(12-22)17(25)7-5-3-4-6-8-19(26)27/h9-11,13,28H,3-8H2,1-2H3,(H,23,29)(H,26,27)/b20-15-