ethyl 2-[2-(3,5-dimethoxyphenyl)carbonyloxyethanoylamino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3,5-dimethoxyphenyl)carbonyloxyethanoylamino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3,5-dimethoxybenzoyl)oxyacetyl]amino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate CAS Name: 2-[[2-[(3,5-dimethoxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-4-phenyl-5-thiocyanato-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,5-dimethoxybenzoyl)oxyacetyl]amino]-4-phenyl-5-thiocyanatothiophene-3-carboxylate Traditional Name: 2-[[2-(3,5-dimethoxybenzoyl)oxyacetyl]amino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylic acid ethyl ester Formula: C25H22N2O7S2 MolecularWeight: 526.58138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC#N)NC(=O)COC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC#N)NC(=O)COC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C25H22N2O7S2/c1-4-33-24(30)21-20(15-8-6-5-7-9-15)25(35-14-26)36-22(21)27-19(28)13-34-23(29)16-10-17(31-2)12-18(11-16)32-3/h5-12H,4,13H2,1-3H3,(H,27,28)