(2S)-2-methyl-4-[(2S)-4-methylpentan-2-yl]-7-phenylazanyl-1,4-benzothiazin-3-one

Systemtic Name: (2S)-2-methyl-4-[(2S)-4-methylpentan-2-yl]-7-phenylazanyl-1,4-benzothiazin-3-one Openeye Name: (2S)-7-anilino-4-[(1S)-1,3-dimethylbutyl]-2-methyl-1,4-benzothiazin-3-one CAS Name: (2S)-7-anilino-2-methyl-4-[(2S)-4-methylpentan-2-yl]-1,4-benzothiazin-3-one IUPAC Name: (2S)-7-anilino-2-methyl-4-[(2S)-4-methylpentan-2-yl]-1,4-benzothiazin-3-one Traditional Name: (2S)-7-anilino-4-[(1S)-1,3-dimethylbutyl]-2-methyl-1,4-benzothiazin-3-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(S1)C=C(C=C2)NC3=CC=CC=C3)C(C)CC(C)C

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(S1)C=C(C=C2)NC3=CC=CC=C3)[C@@H](C)CC(C)C

InChI

InChI=1S/C21H26N2OS/c1-14(2)12-15(3)23-19-11-10-18(22-17-8-6-5-7-9-17)13-20(19)25-16(4)21(23)24/h5-11,13-16,22H,12H2,1-4H3/t15-,16-/m0/s1