2-[(E,2S)-3-methyl-4-[(R)-phenylsulfinyl]but-3-en-2-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[(E,2S)-3-methyl-4-[(R)-phenylsulfinyl]but-3-en-2-yl]oxycarbonylbenzoic acid Openeye Name: 2-[(E,1S)-1,2-dimethyl-3-[(R)-phenylsulfinyl]allyloxy]carbonylbenzoic acid CAS Name: 2-[[(E,2S)-3-methyl-4-[(R)-phenylsulfinyl]but-3-en-2-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[(E,2S)-3-methyl-4-[(R)-phenylsulfinyl]but-3-en-2-yl]oxycarbonylbenzoic acid Traditional Name: 2-[(E,1S)-1,2-dimethyl-3-[(R)-phenylsulfinyl]allyloxy]carbonylbenzoic acid Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CS(=O)C1=CC=CC=C1)C)OC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](/C(=C/[S@@](=O)C1=CC=CC=C1)/C)OC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H18O5S/c1-13(12-25(23)15-8-4-3-5-9-15)14(2)24-19(22)17-11-7-6-10-16(17)18(20)21/h3-12,14H,1-2H3,(H,20,21)/b13-12+/t14-,25+/m0/s1