methyl 3-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)carbamoyl]pyrrolidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C13H17N3O6S2 MolecularWeight: 375.42058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC2C(=O)NCC(=O)N

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC2C(=O)NCC(=O)N

InChI

InChI=1S/C13H17N3O6S2/c1-22-13(19)11-9(4-6-23-11)24(20,21)16-5-2-3-8(16)12(18)15-7-10(14)17/h4,6,8H,2-3,5,7H2,1H3,(H2,14,17)(H,15,18)