(3S)-3-(4-methoxyphenyl)-3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]propanoate

Systemtic Name: (3S)-3-(4-methoxyphenyl)-3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]propanoate Openeye Name: (3S)-3-(4-methoxyphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]propanoate CAS Name: (3S)-3-(4-methoxyphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]propanoate IUPAC Name: (3S)-3-(4-methoxyphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]propanoate Traditional Name: (3S)-3-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonylamino]-3-(4-methoxyphenyl)propionate Formula: C18H17N2O7S- MolecularWeight: 405.40178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)[O-])NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)[O-])NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C18H18N2O7S/c1-26-12-4-2-11(3-5-12)14(9-18(22)23)20-28(24,25)13-6-7-16-15(8-13)19-17(21)10-27-16/h2-8,14,20H,9-10H2,1H3,(H,19,21)(H,22,23)/p-1/t14-/m0/s1