(4-cyano-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (4-cyano-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl 4-methylbenzenesulfonate Openeye Name: (4-cyano-6,7-dihydro-5H-benzothiophen-4-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-cyano-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl ester IUPAC Name: (4-cyano-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-cyano-6,7-dihydro-5H-benzothiophen-4-yl)methyl ester Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCC3=C2C=CS3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCC3=C2C=CS3)C#N

InChI

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