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

Systemtic Name: (2S)-2-[(2S)-6-(2-methyl-1,3-thiazol-4-yl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Openeye Name: (2S)-2-[(2S)-2-isopropyl-6-(2-methylthiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-6-(2-methyl-4-thiazolyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2S)-2-[(2S)-6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-2-isopropyl-3-keto-6-(2-methylthiazol-4-yl)-1,4-benzoxazin-4-yl]butyrate Formula: C19H21N2O4S- MolecularWeight: 373.44604

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c1-5-14(19(23)24)21-15-8-12(13-9-26-11(4)20-13)6-7-16(15)25-17(10(2)3)18(21)22/h6-10,14,17H,5H2,1-4H3,(H,23,24)/p-1/t14-,17-/m0/s1