[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,3-thiazol-4-yl]methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,3-thiazol-4-yl]methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-[2-(benzylamino)-2-oxo-ethyl]thiazol-4-yl]methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-[2-oxo-2-[(phenylmethyl)amino]ethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-[2-(benzylamino)-2-keto-ethyl]thiazol-4-yl]methyl ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CC2=NC(=CS2)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CC2=NC(=CS2)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2O4S2/c24-17(18-7-4-10-28-18)8-9-21(26)27-13-16-14-29-20(23-16)11-19(25)22-12-15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H,22,25)