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

Systemtic Name: (2S)-2-[2,2-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: (2S)-2-[2,2-dimethyl-6-(2-methylthiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[2,2-dimethyl-6-(2-methyl-4-thiazolyl)-3-oxo-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2S)-2-[2,2-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[3-keto-2,2-dimethyl-6-(2-methylthiazol-4-yl)-1,4-benzoxazin-4-yl]butyrate Formula: C18H19N2O4S- MolecularWeight: 359.41946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=C(C=CC(=C2)C3=CSC(=N3)C)OC(C1=O)(C)C

Isomeric SMILES

CC[C@@H](C(=O)[O-])N1C2=C(C=CC(=C2)C3=CSC(=N3)C)OC(C1=O)(C)C

InChI

InChI=1S/C18H20N2O4S/c1-5-13(16(21)22)20-14-8-11(12-9-25-10(2)19-12)6-7-15(14)24-18(3,4)17(20)23/h6-9,13H,5H2,1-4H3,(H,21,22)/p-1/t13-/m0/s1