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

Systemtic Name: ethyl 5-[(4-ethoxyphenyl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-ethoxybenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-ethoxybenzoyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(4-ethoxybenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S2/c1-4-23-13-8-6-12(7-9-13)16(21)20-17-14(25-10-19)11(3)15(26-17)18(22)24-5-2/h6-9H,4-5H2,1-3H3,(H,20,21)