ethyl 5-(2,2-diphenylethanoylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-(2,2-diphenylethanoylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(2,2-diphenylacetyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[(1-oxo-2,2-diphenylethyl)amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,2-diphenylacetyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(2,2-diphenylacetyl)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)C(C2=CC=CC=C2)C3=CC=CC=C3)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C2=CC=CC=C2)C3=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(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,3H2,1-2H3,(H,25,26)