[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-14-4-6-15(7-5-14)22-19(25)13-27-20(26)10-11-21-18(24)9-8-16(23)17-3-2-12-28-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)(H,22,25)