2-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])SC=C2

Isomeric SMILES

CC[C@H]1C2=C(CCN1CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])SC=C2

InChI

InChI=1S/C18H17N3O4S/c1-2-15-13-6-8-26-16(13)5-7-19(15)10-20-17(22)12-4-3-11(21(24)25)9-14(12)18(20)23/h3-4,6,8-9,15H,2,5,7,10H2,1H3/t15-/m0/s1