2-[3-[[3-cyclohexyl-2-(2-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[3-cyclohexyl-2-(2-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[[3-cyclohexyl-2-(2-methoxyphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid CAS Name: 2-[3-[[3-cyclohexyl-2-(2-methoxyphenyl)imino-4-oxo-5-thiazolidinylidene]methyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[[3-cyclohexyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[[3-cyclohexyl-4-keto-2-(2-methoxyphenyl)imino-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N=C2N(C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)O)S2)C5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N=C2N(C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)O)S2)C5CCCCC5

InChI

InChI=1S/C27H27N3O4S/c1-34-23-14-8-6-12-21(23)28-27-30(19-9-3-2-4-10-19)26(33)24(35-27)15-18-16-29(17-25(31)32)22-13-7-5-11-20(18)22/h5-8,11-16,19H,2-4,9-10,17H2,1H3,(H,31,32)