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

Systemtic Name: ethyl 3-methyl-4-thiocyanato-5-[(3,4,5-triethoxyphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-4-thiocyanato-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-thiocyanato-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2-carboxylate Traditional Name: 3-methyl-4-thiocyanato-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)SC#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)SC#N

InChI

InChI=1S/C22H26N2O6S2/c1-6-27-15-10-14(11-16(28-7-2)17(15)29-8-3)20(25)24-21-18(31-12-23)13(5)19(32-21)22(26)30-9-4/h10-11H,6-9H2,1-5H3,(H,24,25)