N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonyl-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonyl-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-ethylsulfonyl-benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylbenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-esyl-benzamide Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C18H18N2O3S2/c1-2-25(22,23)16-10-6-4-8-13(16)17(21)20-18-14(11-19)12-7-3-5-9-15(12)24-18/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,20,21)