methyl 2-[[1-(furan-2-ylcarbonylamino)-2-oxidanylidene-2-phenyl-ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-(furan-2-ylcarbonylamino)-2-oxidanylidene-2-phenyl-ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[1-(furan-2-carbonylamino)-2-oxo-2-phenyl-ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-[[2-furanyl(oxo)methyl]amino]-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(2-furoylamino)-2-keto-2-phenyl-ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C23H22N2O5S/c1-29-23(28)18-15-10-5-6-12-17(15)31-22(18)25-20(19(26)14-8-3-2-4-9-14)24-21(27)16-11-7-13-30-16/h2-4,7-9,11,13,20,25H,5-6,10,12H2,1H3,(H,24,27)