(5S)-N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: (5S)-N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-N'-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-N'-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O4S/c1-2-13-4-7-18-15(9-13)11-19(28-18)21(25)23-22-20(24)8-5-14-3-6-16-17(10-14)27-12-26-16/h3,5-6,8,10-11,13H,2,4,7,9,12H2,1H3,(H,22,24)(H,23,25)/b8-5+/t13-/m0/s1