ethyl 5-(1-benzofuran-2-ylcarbonylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-(1-benzofuran-2-ylcarbonylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-(benzofuran-2-carbonylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[2-benzofuranyl(oxo)methyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-benzofuran-2-carbonylamino)-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-(benzofuran-2-carbonylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H14N2O4S2 MolecularWeight: 386.44476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3O2)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3O2)SC#N)C

InChI

InChI=1S/C18H14N2O4S2/c1-3-23-18(22)15-10(2)14(25-9-19)17(26-15)20-16(21)13-8-11-6-4-5-7-12(11)24-13/h4-8H,3H2,1-2H3,(H,20,21)