(2S)-2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-4-methyl-valerate Formula: C15H16ClN2O3S2- MolecularWeight: 371.88214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O3S2/c1-8(2)5-11(14(20)21)17-13(19)7-22-15-18-10-6-9(16)3-4-12(10)23-15/h3-4,6,8,11H,5,7H2,1-2H3,(H,17,19)(H,20,21)/p-1/t11-/m0/s1