4-(4-methylphenyl)sulfonyl-1,4-thiazine-3-carboxylic acid; (phenylmethyl) (2S)-2-azanyl-3-phenyl-propanoate

Systemtic Name: 4-(4-methylphenyl)sulfonyl-1,4-thiazine-3-carboxylic acid; (phenylmethyl) (2S)-2-azanyl-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-amino-3-phenyl-propanoate; 4-(p-tolylsulfonyl)-1,4-thiazine-3-carboxylic acid CAS Name: (2S)-2-amino-3-phenylpropanoic acid (phenylmethyl) ester; 4-(4-methylphenyl)sulfonyl-1,4-thiazine-3-carboxylic acid IUPAC Name: benzyl (2S)-2-amino-3-phenylpropanoate; 4-(4-methylphenyl)sulfonyl-1,4-thiazine-3-carboxylic acid Traditional Name: (2S)-2-amino-3-phenyl-propionic acid benzyl ester; 4-tosyl-1,4-thiazine-3-carboxylic acid Formula: C28H28N2O6S2 MolecularWeight: 552.66172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CSC=C2C(=O)O.C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CSC=C2C(=O)O.C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C16H17NO2.C12H11NO4S2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;1-9-2-4-10(5-3-9)19(16,17)13-6-7-18-8-11(13)12(14)15/h1-10,15H,11-12,17H2;2-8H,1H3,(H,14,15)/t15-;/m0./s1