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

Systemtic Name: ethyl 3-methyl-5-[[4-(phenylcarbonyl)phenyl]carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-benzoylbenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[(4-benzoylphenyl)-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-benzoylbenzoyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(4-benzoylbenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C23H18N2O4S2 MolecularWeight: 450.53002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O4S2/c1-3-29-23(28)20-14(2)19(30-13-24)22(31-20)25-21(27)17-11-9-16(10-12-17)18(26)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,25,27)