2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2,4-dimethoxy-5-nitro-phenyl)prop-2-enamide

Systemtic Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2,4-dimethoxy-5-nitro-phenyl)prop-2-enamide Openeye Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2,4-dimethoxy-5-nitro-phenyl)prop-2-enamide CAS Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2,4-dimethoxy-5-nitrophenyl)-2-propenamide IUPAC Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2,4-dimethoxy-5-nitrophenyl)prop-2-enamide Traditional Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2,4-dimethoxy-5-nitro-phenyl)acrylamide Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C21H18N4O5S/c1-29-17-9-18(30-2)16(25(27)28)8-12(17)7-13(10-22)20(26)24-21-15(11-23)14-5-3-4-6-19(14)31-21/h7-9H,3-6H2,1-2H3,(H,24,26)