[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C17H16O3S3 MolecularWeight: 364.50214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C17H16O3S3/c1-11-2-7-15(23-11)14(18)10-20-16(19)12-3-5-13(6-4-12)17-21-8-9-22-17/h2-7,17H,8-10H2,1H3