2-[cyanomethyl-[[6-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[[6-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-(2-thienylmethylene)benzofuran-7-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-(thiophen-2-ylmethylidene)-7-benzofuranyl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[6-hydroxy-3-keto-2-(2-thenylidene)coumaran-7-yl]methyl]amino]acetonitrile Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N

Isomeric SMILES

C1=CSC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N

InChI

InChI=1S/C18H13N3O3S/c19-5-7-21(8-6-20)11-14-15(22)4-3-13-17(23)16(24-18(13)14)10-12-2-1-9-25-12/h1-4,9-10,22H,7-8,11H2