(2S)-2-[2,2-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: (2S)-2-[2,2-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: (2S)-2-[2,2-dimethyl-6-(2-methylthiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[2,2-dimethyl-6-(2-methyl-4-thiazolyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: (2S)-2-[2,2-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[3-keto-2,2-dimethyl-6-(2-methylthiazol-4-yl)-1,4-benzoxazin-4-yl]propionate Formula: C17H17N2O4S- MolecularWeight: 345.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC3=C(C=C2)OC(C(=O)N3C(C)C(=O)[O-])(C)C

Isomeric SMILES

CC1=NC(=CS1)C2=CC3=C(C=C2)OC(C(=O)N3[C@@H](C)C(=O)[O-])(C)C

InChI

InChI=1S/C17H18N2O4S/c1-9(15(20)21)19-13-7-11(12-8-24-10(2)18-12)5-6-14(13)23-17(3,4)16(19)22/h5-9H,1-4H3,(H,20,21)/p-1/t9-/m0/s1