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

Systemtic Name: dimethyl 3-methyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H23N3O6S3 MolecularWeight: 497.60812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

InChI

InChI=1S/C20H23N3O6S3/c1-12-15(18(24)28-2)17(31-16(12)19(25)29-3)22-20(30)21-13-6-8-14(9-7-13)32(26,27)23-10-4-5-11-23/h6-9H,4-5,10-11H2,1-3H3,(H2,21,22,30)