diethyl 3-methyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-pyrrolidinosulfonylphenyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H27N3O6S3 MolecularWeight: 525.66128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O6S3/c1-4-30-20(26)17-14(3)18(21(27)31-5-2)33-19(17)24-22(32)23-15-8-10-16(11-9-15)34(28,29)25-12-6-7-13-25/h8-11H,4-7,12-13H2,1-3H3,(H2,23,24,32)