methyl 2-[(4-azanyl-2-thiophen-2-yl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: methyl 2-[(4-azanyl-2-thiophen-2-yl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: methyl 2-[[4-amino-2-(2-thienyl)benzoyl]amino]-4-methylsulfonyl-butanoate CAS Name: 2-[[(4-amino-2-thiophen-2-ylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-amino-2-thiophen-2-ylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: 2-[[4-amino-2-(2-thienyl)benzoyl]amino]-4-mesyl-butyric acid methyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=C(C=C(C=C1)N)C2=CC=CS2

Isomeric SMILES

COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=C(C=C(C=C1)N)C2=CC=CS2

InChI

InChI=1S/C17H20N2O5S2/c1-24-17(21)14(7-9-26(2,22)23)19-16(20)12-6-5-11(18)10-13(12)15-4-3-8-25-15/h3-6,8,10,14H,7,9,18H2,1-2H3,(H,19,20)