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

Systemtic Name: ethyl 5-ethyl-4-methyl-2-[2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-4-methyl-2-[[2-(3-pyrrolidin-1-ylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-4-methyl-2-[[1-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-4-methyl-2-[[2-(3-pyrrolidin-1-ylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-4-methyl-2-[[2-(3-pyrrolidinosulfonylanilino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C(=O)OCC)C

InChI

InChI=1S/C22H29N3O5S2/c1-4-18-15(3)20(22(27)30-5-2)21(31-18)24-19(26)14-23-16-9-8-10-17(13-16)32(28,29)25-11-6-7-12-25/h8-10,13,23H,4-7,11-12,14H2,1-3H3,(H,24,26)