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

Systemtic Name: methyl 3-methyl-5-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[(3-pyrrolidinosulfonylbenzoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C(=O)OC

InChI

InChI=1S/C18H20N2O5S2/c1-12-10-15(26-16(12)18(22)25-2)19-17(21)13-6-5-7-14(11-13)27(23,24)20-8-3-4-9-20/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,21)