(5S)-5-ethyl-N'-(4-methylsulfonylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: (5S)-5-ethyl-N'-(4-methylsulfonylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-5-ethyl-N'-(4-methylsulfonylbenzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-5-ethyl-N'-[(4-methylsulfonylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-5-ethyl-N'-(4-methylsulfonylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-5-ethyl-N'-(4-mesylbenzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O4S2/c1-3-12-4-9-16-14(10-12)11-17(26-16)19(23)21-20-18(22)13-5-7-15(8-6-13)27(2,24)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1