3-methyl-2-[3-oxidanylidene-4-(2-phenylethanoylamino)-1,2-thiazol-2-yl]but-2-enoic acid

Systemtic Name: 3-methyl-2-[3-oxidanylidene-4-(2-phenylethanoylamino)-1,2-thiazol-2-yl]but-2-enoic acid Openeye Name: 3-methyl-2-[3-oxo-4-[(2-phenylacetyl)amino]isothiazol-2-yl]but-2-enoic acid CAS Name: 3-methyl-2-[3-oxo-4-[(1-oxo-2-phenylethyl)amino]-2-isothiazolyl]-2-butenoic acid IUPAC Name: 3-methyl-2-[3-oxo-4-[(2-phenylacetyl)amino]-1,2-thiazol-2-yl]but-2-enoic acid Traditional Name: 2-[3-keto-4-[(2-phenylacetyl)amino]-4-isothiazolin-2-yl]-3-methyl-but-2-enoic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)N1C(=O)C(=CS1)NC(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC(=C(C(=O)O)N1C(=O)C(=CS1)NC(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C16H16N2O4S/c1-10(2)14(16(21)22)18-15(20)12(9-23-18)17-13(19)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,17,19)(H,21,22)