4-[2-[(E)-(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[(E)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[(E)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinylidene)methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[(E)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[(E)-(3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C2N(C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)S2)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)N=C2N(C(=O)/C(=C\C3=CC=CN3C4=CC=C(C=C4)C(=O)O)/S2)C5CCCCC5

InChI

InChI=1S/C27H31N3O3S/c31-25-24(18-23-12-7-17-29(23)21-15-13-19(14-16-21)26(32)33)34-27(28-20-8-3-1-4-9-20)30(25)22-10-5-2-6-11-22/h7,12-18,20,22H,1-6,8-11H2,(H,32,33)/b24-18+,28-27?