N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-nitro-benzamide

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-nitro-benzamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-methoxy-3-nitro-benzamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-nitrobenzamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-nitrobenzamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-methoxy-3-nitro-benzamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-3-11-4-6-13-14(10-20)19(27-17(13)8-11)21-18(23)12-5-7-16(26-2)15(9-12)22(24)25/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,21,23)