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

Systemtic Name: ethyl 5-[(3-butoxyphenyl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-butoxybenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[(3-butoxyphenyl)-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-butoxybenzoyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(3-butoxybenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)SC#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)SC#N

InChI

InChI=1S/C20H22N2O4S2/c1-4-6-10-26-15-9-7-8-14(11-15)18(23)22-19-16(27-12-21)13(3)17(28-19)20(24)25-5-2/h7-9,11H,4-6,10H2,1-3H3,(H,22,23)