2-chloranyl-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-nitro-benzamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-2-10-3-5-12-14(9-20)18(26-16(12)7-10)21-17(23)13-6-4-11(22(24)25)8-15(13)19/h4,6,8,10H,2-3,5,7H2,1H3,(H,21,23)/t10-/m1/s1