ethyl 3-methyl-5-[(4-propan-2-yloxyphenyl)carbonylamino]-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[(4-propan-2-yloxyphenyl)carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-isopropoxybenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(4-propan-2-yloxybenzoyl)amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(4-isopropoxybenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S2/c1-5-24-19(23)16-12(4)15(26-10-20)18(27-16)21-17(22)13-6-8-14(9-7-13)25-11(2)3/h6-9,11H,5H2,1-4H3,(H,21,22)