(2S)-2-(4-chloranyl-2-methyl-phenoxy)-N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: (2S)-2-(4-chloranyl-2-methyl-phenoxy)-N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: (2S)-2-(4-chloro-2-methyl-phenoxy)-N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: (2S)-2-(4-chloro-2-methylphenoxy)-N-[2-(ethylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: (2S)-2-(4-chloro-2-methyl-phenoxy)-N-[2-(ethylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C19H19ClN2O2S2 MolecularWeight: 406.94936

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H](C)OC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C19H19ClN2O2S2/c1-4-25-19-22-15-7-6-14(10-17(15)26-19)21-18(23)12(3)24-16-8-5-13(20)9-11(16)2/h5-10,12H,4H2,1-3H3,(H,21,23)/t12-/m0/s1