methyl 6,6-dimethyl-4-oxidanylidene-3-pyridin-2-ylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: methyl 6,6-dimethyl-4-oxidanylidene-3-pyridin-2-ylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: methyl 6,6-dimethyl-4-oxo-3-(2-pyridylsulfanyl)-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 6,6-dimethyl-4-oxo-3-(2-pyridinylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester IUPAC Name: methyl 6,6-dimethyl-4-oxo-3-pyridin-2-ylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 4-keto-6,6-dimethyl-3-(2-pyridylthio)-5,7-dihydroisobenzothiophene-1-carboxylic acid methyl ester Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC3=CC=CC=N3)C(=O)OC)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC3=CC=CC=N3)C(=O)OC)C

InChI

InChI=1S/C17H17NO3S2/c1-17(2)8-10-13(11(19)9-17)16(23-14(10)15(20)21-3)22-12-6-4-5-7-18-12/h4-7H,8-9H2,1-3H3