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

Systemtic Name: propan-2-yl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-14(2)27-22(26)13-19(17-8-6-5-7-9-17)23-21(25)11-10-20(24)18-12-15(3)28-16(18)4/h5-9,12,14,19H,10-11,13H2,1-4H3,(H,23,25)