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

Systemtic Name: butyl 2-[(2-cyano-3-thiophen-2-yl-prop-2-enoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-cyano-3-(2-thienyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-cyano-1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2-cyano-3-thiophen-2-ylprop-2-enoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(2-thienyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid butyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=CS3)C#N

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=CS3)C#N

InChI

InChI=1S/C21H22N2O3S2/c1-2-3-10-26-21(25)18-16-8-4-5-9-17(16)28-20(18)23-19(24)14(13-22)12-15-7-6-11-27-15/h6-7,11-12H,2-5,8-10H2,1H3,(H,23,24)