ethyl 5-[2-(4-ethoxyphenyl)ethanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-ethoxyphenyl)ethanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[2-(4-ethoxyphenyl)-1-oxoethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[(2-p-phenetylacetyl)amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)SC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)SC#N

InChI

InChI=1S/C19H20N2O4S2/c1-4-24-14-8-6-13(7-9-14)10-15(22)21-18-16(26-11-20)12(3)17(27-18)19(23)25-5-2/h6-9H,4-5,10H2,1-3H3,(H,21,22)