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

Systemtic Name: methyl 5-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-pyrrolidinosulfonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O4S3 MolecularWeight: 439.57204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

InChI

InChI=1S/C18H21N3O4S3/c1-12-11-15(17(22)25-2)16(27-12)20-18(26)19-13-5-7-14(8-6-13)28(23,24)21-9-3-4-10-21/h5-8,11H,3-4,9-10H2,1-2H3,(H2,19,20,26)