2-(6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]ethanamide

Systemtic Name: 2-(6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]ethanamide Openeye Name: 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide CAS Name: 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(1-phenyl-4-pyrazolyl)ethyl]acetamide IUPAC Name: 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide Traditional Name: 2-(6-chloro-3-keto-4H-1,4-benzothiazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S/c22-15-6-7-18-17(10-15)25-21(28)19(29-18)11-20(27)23-9-8-14-12-24-26(13-14)16-4-2-1-3-5-16/h1-7,10,12-13,19H,8-9,11H2,(H,23,27)(H,25,28)