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

Systemtic Name: ethyl 3-methyl-5-(3-phenylpropanoylamino)-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-(3-phenylpropanoylamino)-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[(1-oxo-3-phenylpropyl)amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(3-phenylpropanoylamino)-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-(hydrocinnamoylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC=CC=C2)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC=CC=C2)SC#N)C

InChI

InChI=1S/C18H18N2O3S2/c1-3-23-18(22)16-12(2)15(24-11-19)17(25-16)20-14(21)10-9-13-7-5-4-6-8-13/h4-8H,3,9-10H2,1-2H3,(H,20,21)