methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(5-methyl-2-thienyl)-4-oxo-butanoyl]amino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[4-(5-methyl-2-thiophenyl)-1,4-dioxobutyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[[4-keto-4-(5-methyl-2-thienyl)butanoyl]amino]propionic acid methyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)NC(CC(=O)OC)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)NC(CC(=O)OC)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25NO6S/c1-13-5-9-19(29-13)16(23)7-10-20(24)22-15(12-21(25)28-4)14-6-8-17(26-2)18(11-14)27-3/h5-6,8-9,11,15H,7,10,12H2,1-4H3,(H,22,24)