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

Systemtic Name: methyl 2-[(5-acetamido-3-methyl-1,2-thiazol-4-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(5-acetamido-3-methyl-isothiazole-4-carbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(5-acetamido-3-methyl-4-isothiazolyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(5-acetamido-3-methyl-1,2-thiazole-4-carbonyl)amino]-3-phenylpropanoate Traditional Name: 2-[(5-acetamido-3-methyl-isothiazole-4-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-10-14(16(25-20-10)18-11(2)21)15(22)19-13(17(23)24-3)9-12-7-5-4-6-8-12/h4-8,13H,9H2,1-3H3,(H,18,21)(H,19,22)