(E)-3-(4-chlorophenyl)-2-cyano-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(=CC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)/C(=C/C3=CC=C(C=C3)Cl)/C#N

InChI

InChI=1S/C20H16ClN3OS/c1-12-2-7-16-17(11-23)20(26-18(16)8-12)24-19(25)14(10-22)9-13-3-5-15(21)6-4-13/h3-6,9,12H,2,7-8H2,1H3,(H,24,25)/b14-9+