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

Systemtic Name: (5S)-5-ethyl-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-5-ethyl-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-5-ethyl-N'-[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-5-ethyl-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-5-ethyl-N'-[(E)-3-(2-nitrophenyl)acryloyl]-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-2-13-7-9-17-15(11-13)12-18(28-17)20(25)22-21-19(24)10-8-14-5-3-4-6-16(14)23(26)27/h3-6,8,10,12-13H,2,7,9,11H2,1H3,(H,21,24)(H,22,25)/b10-8+/t13-/m0/s1