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

Systemtic Name: ethyl 2-[[2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-cyano-1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(2-propoxyphenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C24H26N2O4S/c1-3-13-30-19-11-7-5-9-16(19)14-17(15-25)22(27)26-23-21(24(28)29-4-2)18-10-6-8-12-20(18)31-23/h5,7,9,11,14H,3-4,6,8,10,12-13H2,1-2H3,(H,26,27)