bis(cyanomethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: bis(cyanomethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium Openeye Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-oxo-2-(2-thienylmethylene)benzofuran-7-yl]methyl]ammonium CAS Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-oxo-2-(thiophen-2-ylmethylidene)-7-benzofuranyl]methyl]ammonium IUPAC Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium Traditional Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-keto-2-(2-thenylidene)coumaran-7-yl]methyl]ammonium Formula: C18H14N3O3S+ MolecularWeight: 352.38706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N

Isomeric SMILES

C1=CSC(=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](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/p+1/b16-10-