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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]propionamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N3O3S2/c1-11-18(24)21-14-10-12(6-7-15(14)25-11)20-17(23)8-9-26-19-22-13-4-2-3-5-16(13)27-19/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,24)/t11-/m0/s1