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

Systemtic Name: butyl 2-[[2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-cyano-3-(5-phenyl-2-furyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-cyano-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(5-phenyl-2-furyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid butyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H26N2O4S/c1-2-3-15-32-27(31)24-21-11-7-8-12-23(21)34-26(24)29-25(30)19(17-28)16-20-13-14-22(33-20)18-9-5-4-6-10-18/h4-6,9-10,13-14,16H,2-3,7-8,11-12,15H2,1H3,(H,29,30)