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

Systemtic Name: methyl 2-[(5-benzamido-3-methyl-1,2-thiazol-4-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(5-benzamido-3-methyl-isothiazole-4-carbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(5-benzamido-3-methyl-4-isothiazolyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(5-benzamido-3-methyl-1,2-thiazole-4-carbonyl)amino]-3-phenylpropanoate Traditional Name: 2-[(5-benzamido-3-methyl-isothiazole-4-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)NC(CC2=CC=CC=C2)C(=O)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NSC(=C1C(=O)NC(CC2=CC=CC=C2)C(=O)OC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4S/c1-14-18(21(30-25-14)24-19(26)16-11-7-4-8-12-16)20(27)23-17(22(28)29-2)13-15-9-5-3-6-10-15/h3-12,17H,13H2,1-2H3,(H,23,27)(H,24,26)