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

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(3-pyrrolidinosulfonylbenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H26N2O5S2/c1-4-17-14(3)29-20(18(17)21(25)28-5-2)22-19(24)15-9-8-10-16(13-15)30(26,27)23-11-6-7-12-23/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,24)