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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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