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

Systemtic Name: butyl 2-[[3-[5-[2,5-bis(chloranyl)phenyl]furan-2-yl]-2-cyano-prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-cyano-3-[5-(2,5-dichlorophenyl)-2-furyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-[5-(2,5-dichlorophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-[5-(2,5-dichlorophenyl)-2-furyl]acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid butyl ester Formula: C27H24Cl2N2O4S MolecularWeight: 543.46146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24Cl2N2O4S/c1-2-3-12-34-27(33)24-19-6-4-5-7-23(19)36-26(24)31-25(32)16(15-30)13-18-9-11-22(35-18)20-14-17(28)8-10-21(20)29/h8-11,13-14H,2-7,12H2,1H3,(H,31,32)