methyl 1,1-bis(oxidanylidene)-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-7-carboxylate

Systemtic Name: methyl 1,1-bis(oxidanylidene)-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-7-carboxylate Openeye Name: methyl 1,1-dioxo-3-phenylsulfanyl-2,3-dihydrobenzothiophene-7-carboxylate CAS Name: 1,1-dioxo-3-(phenylthio)-2,3-dihydro-1-benzothiophene-7-carboxylic acid methyl ester IUPAC Name: methyl 1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-7-carboxylate Traditional Name: 1,1-diketo-3-(phenylthio)-2,3-dihydrobenzothiophene-7-carboxylic acid methyl ester Formula: C16H14O4S2 MolecularWeight: 334.40996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)C(CS2(=O)=O)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)C(CS2(=O)=O)SC3=CC=CC=C3

InChI

InChI=1S/C16H14O4S2/c1-20-16(17)13-9-5-8-12-14(10-22(18,19)15(12)13)21-11-6-3-2-4-7-11/h2-9,14H,10H2,1H3