(2S)-3-[2-(carboxymethyl)-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-(phenylsulfonylamino)propanoate

Systemtic Name: (2S)-3-[2-(carboxymethyl)-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-(phenylsulfonylamino)propanoate Openeye Name: (2S)-2-(benzenesulfonamido)-3-[2-(carboxymethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-[2-(carboxymethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate IUPAC Name: (2S)-2-(benzenesulfonamido)-3-[2-(carboxymethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-[2-(carboxymethyl)-3-keto-4H-1,4-benzoxazin-6-yl]propionate Formula: C19H17N2O8S- MolecularWeight: 433.41188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)O)C(=O)[O-]

InChI

InChI=1S/C19H18N2O8S/c22-17(23)10-16-18(24)20-13-8-11(6-7-15(13)29-16)9-14(19(25)26)21-30(27,28)12-4-2-1-3-5-12/h1-8,14,16,21H,9-10H2,(H,20,24)(H,22,23)(H,25,26)/p-1/t14-,16?/m0/s1