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

Systemtic Name: methyl 3-[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-(2,5-dimethylphenyl)-4-oxo-butanoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[4-(2,5-dimethylphenyl)-1,4-dioxobutyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-(2,5-dimethylphenyl)-4-keto-butanoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC(CC(=O)OC)C2=CC=CS2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC(CC(=O)OC)C2=CC=CS2

InChI

InChI=1S/C20H23NO4S/c1-13-6-7-14(2)15(11-13)17(22)8-9-19(23)21-16(12-20(24)25-3)18-5-4-10-26-18/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,21,23)