(7E)-7-diazanylidene-2-(phenylmethyl)-4-thiophen-3-yl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate

Systemtic Name: (7E)-7-diazanylidene-2-(phenylmethyl)-4-thiophen-3-yl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Openeye Name: (7E)-2-benzyl-7-hydrazinylidene-4-(3-thienyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate CAS Name: (7E)-7-hydrazinylidene-2-(phenylmethyl)-4-(3-thiophenyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate IUPAC Name: (7E)-2-benzyl-7-hydrazinylidene-4-thiophen-3-yl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Traditional Name: (7E)-2-benzyl-7-hydrazono-4-(3-thienyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Formula: C20H22N3O2S- MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NN)C2CN(CC2(C1C3=CSC=C3)C(=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C/C(=N\N)/C2CN(CC2(C1C3=CSC=C3)C(=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O2S/c21-22-18-7-6-16(15-8-9-26-12-15)20(19(24)25)13-23(11-17(18)20)10-14-4-2-1-3-5-14/h1-5,8-9,12,16-17H,6-7,10-11,13,21H2,(H,24,25)/p-1/b22-18+