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

Systemtic Name: ethyl 3-methyl-5-[[4-(phenylmethyl)phenyl]carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-benzylbenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[oxo-[4-(phenylmethyl)phenyl]methyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-benzylbenzoyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(4-benzylbenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)CC3=CC=CC=C3)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)CC3=CC=CC=C3)SC#N)C

InChI

InChI=1S/C23H20N2O3S2/c1-3-28-23(27)20-15(2)19(29-14-24)22(30-20)25-21(26)18-11-9-17(10-12-18)13-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,25,26)