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

Systemtic Name: ethyl 3-methyl-5-[(4-phenylphenyl)carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(4-phenylbenzoyl)amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[oxo-(4-phenylphenyl)methyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(4-phenylbenzoyl)amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[(4-phenylbenzoyl)amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3S2/c1-3-27-22(26)19-14(2)18(28-13-23)21(29-19)24-20(25)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,24,25)