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

Systemtic Name: methyl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 3-[[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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