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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: [2-(benzylamino)-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-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c23-16(17-7-4-12-28-17)8-9-18(24)21-11-10-20(26)27-14-19(25)22-13-15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H,21,24)(H,22,25)