ethyl 2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-phenyl-acryloyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H22N2O3S/c1-3-27-22(26)19-18-14(2)8-7-11-17(18)28-21(19)24-20(25)16(13-23)12-15-9-5-4-6-10-15/h4-6,9-10,12,14H,3,7-8,11H2,1-2H3,(H,24,25)/b16-12+