[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-keto-ethyl] ester Formula: C17H17NO5S2 MolecularWeight: 379.45058

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N2CCC3=C(C2)C=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N2CCC3=C(C2)C=CS3

InChI

InChI=1S/C17H17NO5S2/c1-25(21,22)15-5-3-2-4-13(15)17(20)23-11-16(19)18-8-6-14-12(10-18)7-9-24-14/h2-5,7,9H,6,8,10-11H2,1H3