2-[(5Z)-5-[3-[(E)-(5-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methyl-pentanoic acid

Systemtic Name: 2-[(5Z)-5-[3-[(E)-(5-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methyl-pentanoic acid Openeye Name: 2-[(5Z)-5-[3-[(E)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-pentanoic acid CAS Name: 2-[(5Z)-5-[3-[(E)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-1-cyclohex-2-enylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-methylpentanoic acid IUPAC Name: 2-[(5Z)-5-[3-[(E)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylpentanoic acid Traditional Name: 2-[(5Z)-5-[3-[(E)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]-4-keto-2-thioxo-thiazolidin-3-yl]-4-methyl-valeric acid Formula: C26H29ClN2O3S3 MolecularWeight: 549.16806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1C(=O)C(=C2CC(CC(=C2)C=C3N(C4=C(S3)C=CC(=C4)Cl)C)(C)C)SC1=S

Isomeric SMILES

CC(C)CC(C(=O)O)N1C(=O)/C(=C/2\CC(CC(=C2)/C=C/3\N(C4=C(S3)C=CC(=C4)Cl)C)(C)C)/SC1=S

InChI

InChI=1S/C26H29ClN2O3S3/c1-14(2)8-19(24(31)32)29-23(30)22(35-25(29)33)16-9-15(12-26(3,4)13-16)10-21-28(5)18-11-17(27)6-7-20(18)34-21/h6-7,9-11,14,19H,8,12-13H2,1-5H3,(H,31,32)/b21-10+,22-16+