N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C18H15N3O2S3 MolecularWeight: 401.5256

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C[C@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C18H15N3O2S3/c1-24-18-21-12-7-6-10(8-14(12)26-18)19-16(22)9-15-17(23)20-11-4-2-3-5-13(11)25-15/h2-8,15H,9H2,1H3,(H,19,22)(H,20,23)/t15-/m0/s1