(2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: (2-anilinothiazol-4-yl)methyl 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionic acid (2-anilinothiazol-4-yl)methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4S/c1-15-21(27)25(18-9-5-6-10-19(18)29-15)12-11-20(26)28-13-17-14-30-22(24-17)23-16-7-3-2-4-8-16/h2-10,14-15H,11-13H2,1H3,(H,23,24)