4-[(E)-2-[3-(3-methyl-2-sulfanylidene-but-3-enyl)phenyl]prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-[3-(3-methyl-2-sulfanylidene-but-3-enyl)phenyl]prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-[3-(3-methyl-2-thioxo-but-3-enyl)phenyl]prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-[3-(3-methyl-2-sulfanylidenebut-3-enyl)phenyl]prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-[3-(3-methyl-2-sulfanylidenebut-3-enyl)phenyl]prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-[3-(3-methyl-2-thioxo-but-3-enyl)phenyl]prop-1-enyl]benzoic acid Formula: C21H20O2S MolecularWeight: 336.4473

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=S)CC1=CC=CC(=C1)C(=CC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC(=C)C(=S)CC1=CC=CC(=C1)/C(=C/C2=CC=C(C=C2)C(=O)O)/C

InChI

InChI=1S/C21H20O2S/c1-14(2)20(24)13-17-5-4-6-19(12-17)15(3)11-16-7-9-18(10-8-16)21(22)23/h4-12H,1,13H2,2-3H3,(H,22,23)/b15-11+