methyl 3-[[4-methyl-2-(phenylmethyl)-1,3-thiazol-5-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[4-methyl-2-(phenylmethyl)-1,3-thiazol-5-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[(2-benzyl-4-methyl-thiazole-5-carbonyl)amino]-3-phenyl-propanoate CAS Name: 3-[[[4-methyl-2-(phenylmethyl)-5-thiazolyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoate Traditional Name: 3-[(2-benzyl-4-methyl-thiazole-5-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-15-21(28-19(23-15)13-16-9-5-3-6-10-16)22(26)24-18(14-20(25)27-2)17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,24,26)