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

Systemtic Name: butyl 2-[[(E)-2-cyano-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[(E)-2-cyano-3-[5-(p-tolyl)-2-furyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[5-(4-methylphenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-2-cyano-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[5-(p-tolyl)-2-furyl]acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid butyl ester Formula: C28H28N2O4S MolecularWeight: 488.59792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C)/C#N

InChI

InChI=1S/C28H28N2O4S/c1-3-4-15-33-28(32)25-22-7-5-6-8-24(22)35-27(25)30-26(31)20(17-29)16-21-13-14-23(34-21)19-11-9-18(2)10-12-19/h9-14,16H,3-8,15H2,1-2H3,(H,30,31)/b20-16+