methyl 4-[[2-[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(5-methyl-2-thienyl)-4-oxo-butanoyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-(5-methyl-2-thiophenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-keto-4-(5-methyl-2-thienyl)butanoyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H21NO6S/c1-13-3-9-17(28-13)16(22)8-10-19(24)27-12-18(23)21-11-14-4-6-15(7-5-14)20(25)26-2/h3-7,9H,8,10-12H2,1-2H3,(H,21,23)