3-methyl-5-[(E)-3-(2-oxidanylidene-1,3-thiazolidin-4-yl)prop-2-enyl]-2-propan-2-yl-benzoic acid

Systemtic Name: 3-methyl-5-[(E)-3-(2-oxidanylidene-1,3-thiazolidin-4-yl)prop-2-enyl]-2-propan-2-yl-benzoic acid Openeye Name: 2-isopropyl-3-methyl-5-[(E)-3-(2-oxothiazolidin-4-yl)allyl]benzoic acid CAS Name: 3-methyl-5-[(E)-3-(2-oxo-4-thiazolidinyl)prop-2-enyl]-2-propan-2-ylbenzoic acid IUPAC Name: 3-methyl-5-[(E)-3-(2-oxo-1,3-thiazolidin-4-yl)prop-2-enyl]-2-propan-2-ylbenzoic acid Traditional Name: 2-isopropyl-5-[(E)-3-(2-ketothiazolidin-4-yl)allyl]-3-methyl-benzoic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC=CC2CSC(=O)N2)C(=O)O)C(C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C/C=C/C2CSC(=O)N2)C(=O)O)C(C)C

InChI

InChI=1S/C17H21NO3S/c1-10(2)15-11(3)7-12(8-14(15)16(19)20)5-4-6-13-9-22-17(21)18-13/h4,6-8,10,13H,5,9H2,1-3H3,(H,18,21)(H,19,20)/b6-4+