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

Systemtic Name: ethyl 3-methyl-5-[(4-phenoxyphenyl)carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(4-phenoxybenzoyl)amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[oxo-(4-phenoxyphenyl)methyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(4-phenoxybenzoyl)amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[(4-phenoxybenzoyl)amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)SC#N)C

InChI

InChI=1S/C22H18N2O4S2/c1-3-27-22(26)19-14(2)18(29-13-23)21(30-19)24-20(25)15-9-11-17(12-10-15)28-16-7-5-4-6-8-16/h4-12H,3H2,1-2H3,(H,24,25)