[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl] ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=N1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4S/c1-15-14-30-22(23-15)25-19(26)13-29-21(28)18(12-16-8-4-2-5-9-16)24-20(27)17-10-6-3-7-11-17/h2-11,14,18H,12-13H2,1H3,(H,24,27)(H,23,25,26)