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

Systemtic Name: [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,3-thiazol-4-yl]methyl 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-[2-(benzylamino)-2-oxo-ethyl]thiazol-4-yl]methyl 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic 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 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-[2-(benzylamino)-2-keto-ethyl]thiazol-4-yl]methyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=CSC(=N1)CC(=O)NCC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)OCC1=CSC(=N1)CC(=O)NCC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C22H23N3O4S2/c1-15(26)24-18(19-8-5-9-30-19)10-22(28)29-13-17-14-31-21(25-17)11-20(27)23-12-16-6-3-2-4-7-16/h2-9,14,18H,10-13H2,1H3,(H,23,27)(H,24,26)