methyl 4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanoyl]amino]benzoate

Systemtic Name: methyl 4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanoyl]amino]benzoate Openeye Name: methyl 4-methyl-3-[[7-(5-methyl-2-thienyl)-4,7-dioxo-heptanoyl]amino]benzoate CAS Name: 4-methyl-3-[[7-(5-methyl-2-thiophenyl)-1,4,7-trioxoheptyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]benzoate Traditional Name: 3-[[4,7-diketo-7-(5-methyl-2-thienyl)heptanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC(=O)CCC(=O)C2=CC=C(S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC(=O)CCC(=O)C2=CC=C(S2)C

InChI

InChI=1S/C21H23NO5S/c1-13-4-6-15(21(26)27-3)12-17(13)22-20(25)11-8-16(23)7-9-18(24)19-10-5-14(2)28-19/h4-6,10,12H,7-9,11H2,1-3H3,(H,22,25)