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

Systemtic Name: methyl 4,5-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-pyrrolidinosulfonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O4S3 MolecularWeight: 453.59862

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S3/c1-12-13(2)28-17(16(12)18(23)26-3)21-19(27)20-14-6-8-15(9-7-14)29(24,25)22-10-4-5-11-22/h6-9H,4-5,10-11H2,1-3H3,(H2,20,21,27)