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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-4-13(17(21)22)19-14-7-11(12-8-24-10(3)18-12)5-6-15(14)23-9(2)16(19)20/h5-9,13H,4H2,1-3H3,(H,21,22)/p-1/t9-,13-/m0/s1