ethyl 3-methyl-5-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(2-ketochromene-3-carbonyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C19H14N2O5S2 MolecularWeight: 414.45486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O)SC#N)C

InChI

InChI=1S/C19H14N2O5S2/c1-3-25-19(24)15-10(2)14(27-9-20)17(28-15)21-16(22)12-8-11-6-4-5-7-13(11)26-18(12)23/h4-8H,3H2,1-2H3,(H,21,22)