ethyl 3-methyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[[(E)-3-phenylacryloyl]amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=CC=C2)SC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S2/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/h4-10H,3H2,1-2H3,(H,20,21)/b10-9+