diethyl 3-methyl-5-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(3-morpholinosulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[3-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3-morpholinosulfonylphenyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H27N3O7S3 MolecularWeight: 541.66068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H27N3O7S3/c1-4-31-20(26)17-14(3)18(21(27)32-5-2)34-19(17)24-22(33)23-15-7-6-8-16(13-15)35(28,29)25-9-11-30-12-10-25/h6-8,13H,4-5,9-12H2,1-3H3,(H2,23,24,33)