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

Systemtic Name: (2S)-2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: (2S)-2-[6-(2-methylthiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]butanoic acid CAS Name: (2S)-2-[6-(2-methyl-4-thiazolyl)-3-oxo-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: (2S)-2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: (2S)-2-[3-keto-6-(2-methylthiazol-4-yl)-1,4-benzoxazin-4-yl]butyric acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)C

Isomeric SMILES

CC[C@@H](C(=O)O)N1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)C

InChI

InChI=1S/C16H16N2O4S/c1-3-12(16(20)21)18-13-6-10(11-8-23-9(2)17-11)4-5-14(13)22-7-15(18)19/h4-6,8,12H,3,7H2,1-2H3,(H,20,21)/t12-/m0/s1