5-(1,3-benzothiazol-2-yl)-N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]pentanamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pentanamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pentanamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pentanamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]valeramide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O3S/c1-13-21(26)24-16-12-14(10-11-17(16)27-13)22-19(25)8-4-5-9-20-23-15-6-2-3-7-18(15)28-20/h2-3,6-7,10-13H,4-5,8-9H2,1H3,(H,22,25)(H,24,26)/t13-/m0/s1