methyl 5-[[1-[2-(thiophen-2-ylcarbonylamino)ethyl]indol-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1-[2-(thiophen-2-ylcarbonylamino)ethyl]indol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-[2-(thiophene-2-carbonylamino)ethyl]indol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1-[2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]-3-indolyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-[2-(thiophene-2-carbonylamino)ethyl]indol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[1-[2-(2-thenoylamino)ethyl]indol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N2O4S2/c1-27-22(26)18-9-8-15(28-18)14-30-20-13-24(17-6-3-2-5-16(17)20)11-10-23-21(25)19-7-4-12-29-19/h2-9,12-13H,10-11,14H2,1H3,(H,23,25)