(2S)-2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-N-ethyl-propionamide Formula: C14H16ClN3O2S2 MolecularWeight: 357.87874

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C14H16ClN3O2S2/c1-3-16-13(20)8(2)17-12(19)7-21-14-18-10-6-9(15)4-5-11(10)22-14/h4-6,8H,3,7H2,1-2H3,(H,16,20)(H,17,19)/t8-/m0/s1