methyl 3-[3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoyloxymethyl]benzoate Openeye Name: methyl 3-[3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoyloxymethyl]benzoate CAS Name: 3-[[3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoyloxymethyl]benzoate Traditional Name: 3-[3-[[4-keto-4-(2-thienyl)butanoyl]amino]propanoyloxymethyl]benzoic acid methyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C20H21NO6S/c1-26-20(25)15-5-2-4-14(12-15)13-27-19(24)9-10-21-18(23)8-7-16(22)17-6-3-11-28-17/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)