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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[(3,4,5-triethoxyphenyl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[[(3,4,5-triethoxybenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[[(3,4,5-triethoxybenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[(3,4,5-triethoxybenzoyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C28H33N3O6S2 MolecularWeight: 571.70812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C28H33N3O6S2/c1-6-34-20-15-19(16-21(35-7-2)24(20)36-8-3)25(32)30-31-28(38)29-26-23(27(33)37-9-4)22(17(5)39-26)18-13-11-10-12-14-18/h10-16H,6-9H2,1-5H3,(H,30,32)(H2,29,31,38)