propyl 4-[[7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanoyl]amino]benzoate

Systemtic Name: propyl 4-[[7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanoyl]amino]benzoate Openeye Name: propyl 4-[[7-(5-methyl-2-thienyl)-4,7-dioxo-heptanoyl]amino]benzoate CAS Name: 4-[[7-(5-methyl-2-thiophenyl)-1,4,7-trioxoheptyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]benzoate Traditional Name: 4-[[4,7-diketo-7-(5-methyl-2-thienyl)heptanoyl]amino]benzoic acid propyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)CCC(=O)C2=CC=C(S2)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)CCC(=O)C2=CC=C(S2)C

InChI

InChI=1S/C22H25NO5S/c1-3-14-28-22(27)16-5-7-17(8-6-16)23-21(26)13-10-18(24)9-11-19(25)20-12-4-15(2)29-20/h4-8,12H,3,9-11,13-14H2,1-2H3,(H,23,26)