4-[3-[3-(1-oxidanylcyclohexyl)-4-oxidanylidene-2-prop-2-enyl-1,3-thiazolidin-2-yl]propyl]benzoic acid

Systemtic Name: 4-[3-[3-(1-oxidanylcyclohexyl)-4-oxidanylidene-2-prop-2-enyl-1,3-thiazolidin-2-yl]propyl]benzoic acid Openeye Name: 4-[3-[2-allyl-3-(1-hydroxycyclohexyl)-4-oxo-thiazolidin-2-yl]propyl]benzoic acid CAS Name: 4-[3-[3-(1-hydroxycyclohexyl)-4-oxo-2-prop-2-enyl-2-thiazolidinyl]propyl]benzoic acid IUPAC Name: 4-[3-[3-(1-hydroxycyclohexyl)-4-oxo-2-prop-2-enyl-1,3-thiazolidin-2-yl]propyl]benzoic acid Traditional Name: 4-[3-[2-allyl-3-(1-hydroxycyclohexyl)-4-keto-thiazolidin-2-yl]propyl]benzoic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(N(C(=O)CS1)C2(CCCCC2)O)CCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C=CCC1(N(C(=O)CS1)C2(CCCCC2)O)CCCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H29NO4S/c1-2-12-22(15-6-7-17-8-10-18(11-9-17)20(25)26)23(19(24)16-28-22)21(27)13-4-3-5-14-21/h2,8-11,27H,1,3-7,12-16H2,(H,25,26)