ethyl 5-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(7-methoxybenzofuran-2-carbonyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[(7-methoxy-2-benzofuranyl)-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(7-methoxybenzofuran-2-carbonyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C19H16N2O5S2 MolecularWeight: 416.47074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(O2)C(=CC=C3)OC)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(O2)C(=CC=C3)OC)SC#N)C

InChI

InChI=1S/C19H16N2O5S2/c1-4-25-19(23)16-10(2)15(27-9-20)18(28-16)21-17(22)13-8-11-6-5-7-12(24-3)14(11)26-13/h5-8H,4H2,1-3H3,(H,21,22)