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

Systemtic Name: (2S)-2-(butylsulfonylamino)-3-[2-(carboxymethyl)-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propanoate Openeye Name: (2S)-2-(butylsulfonylamino)-3-[2-(carboxymethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate CAS Name: (2S)-2-(butylsulfonylamino)-3-[2-(carboxymethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate IUPAC Name: (2S)-2-(butylsulfonylamino)-3-[2-(carboxymethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate Traditional Name: (2S)-2-(butylsulfonylamino)-3-[2-(carboxymethyl)-3-keto-4H-1,4-benzoxazin-6-yl]propionate Formula: C17H21N2O8S- MolecularWeight: 413.42224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC2=C(C=C1)OC(C(=O)N2)CC(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](CC1=CC2=C(C=C1)OC(C(=O)N2)CC(=O)O)C(=O)[O-]

InChI

InChI=1S/C17H22N2O8S/c1-2-3-6-28(25,26)19-12(17(23)24)8-10-4-5-13-11(7-10)18-16(22)14(27-13)9-15(20)21/h4-5,7,12,14,19H,2-3,6,8-9H2,1H3,(H,18,22)(H,20,21)(H,23,24)/p-1/t12-,14?/m0/s1