diethyl 3-methyl-5-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H26N2O8S2 MolecularWeight: 510.58044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H26N2O8S2/c1-7-31-20(26)15-11(3)17(21(27)32-8-2)34-19(15)24-22(33)23-18(25)12-9-13(28-4)16(30-6)14(10-12)29-5/h9-10H,7-8H2,1-6H3,(H2,23,24,25,33)