[(E)-2-(2-methyl-1,3-benzodithiol-5-yl)prop-1-enyl] benzoate

Systemtic Name: [(E)-2-(2-methyl-1,3-benzodithiol-5-yl)prop-1-enyl] benzoate Openeye Name: [(E)-2-(2-methyl-1,3-benzodithiol-5-yl)prop-1-enyl] benzoate CAS Name: benzoic acid [(E)-2-(2-methyl-1,3-benzodithiol-5-yl)prop-1-enyl] ester IUPAC Name: [(E)-2-(2-methyl-1,3-benzodithiol-5-yl)prop-1-enyl] benzoate Traditional Name: benzoic acid [(E)-2-(2-methyl-1,3-benzodithiol-5-yl)prop-1-enyl] ester Formula: C18H16O2S2 MolecularWeight: 328.44844

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Descriptors Computed from Structure

Canonical SMILES:

CC1SC2=C(S1)C=C(C=C2)C(=COC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1SC2=C(S1)C=C(C=C2)/C(=C/OC(=O)C3=CC=CC=C3)/C

InChI

InChI=1S/C18H16O2S2/c1-12(11-20-18(19)14-6-4-3-5-7-14)15-8-9-16-17(10-15)22-13(2)21-16/h3-11,13H,1-2H3/b12-11+