dimethyl 3-[(2-aminocarbonyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-5-azanyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-[(2-aminocarbonyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-5-azanyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(2-carbamoyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[2-carbamoyl-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-carbamoyl-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(2-carbamoyl-4-pyrrolidinosulfonyl-phenoxy)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H23N3O8S2 MolecularWeight: 497.54192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N)C(=O)OC)N

InChI

InChI=1S/C20H23N3O8S2/c1-29-19(25)15-13(16(20(26)30-2)32-18(15)22)10-31-14-6-5-11(9-12(14)17(21)24)33(27,28)23-7-3-4-8-23/h5-6,9H,3-4,7-8,10,22H2,1-2H3,(H2,21,24)