ethyl 1,1-bis(oxidanylidene)-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-5-carboxylate

Systemtic Name: ethyl 1,1-bis(oxidanylidene)-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-5-carboxylate Openeye Name: ethyl 1,1-dioxo-3-phenylsulfanyl-2,3-dihydrobenzothiophene-5-carboxylate CAS Name: 1,1-dioxo-3-(phenylthio)-2,3-dihydro-1-benzothiophene-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 1,1-diketo-3-(phenylthio)-2,3-dihydrobenzothiophene-5-carboxylic acid ethyl ester Formula: C17H16O4S2 MolecularWeight: 348.43654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)S(=O)(=O)CC2SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)S(=O)(=O)CC2SC3=CC=CC=C3

InChI

InChI=1S/C17H16O4S2/c1-2-21-17(18)12-8-9-16-14(10-12)15(11-23(16,19)20)22-13-6-4-3-5-7-13/h3-10,15H,2,11H2,1H3