2-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonylamino]-3-phenyl-propionic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O)OCC(=O)N2

InChI

InChI=1S/C18H18N2O6S/c1-11-7-13-15(26-10-17(21)19-13)9-16(11)27(24,25)20-14(18(22)23)8-12-5-3-2-4-6-12/h2-7,9,14,20H,8,10H2,1H3,(H,19,21)(H,22,23)