[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)CC(C2=CC=CS2)NC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)CC(C2=CC=CS2)NC(=O)C)C

InChI

InChI=1S/C21H26N2O4S/c1-13-7-8-17(10-14(13)2)15(3)22-20(25)12-27-21(26)11-18(23-16(4)24)19-6-5-9-28-19/h5-10,15,18H,11-12H2,1-4H3,(H,22,25)(H,23,24)