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

Systemtic Name: methyl (2R)-2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C16H19ClN2O3S2 MolecularWeight: 386.91666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O3S2/c1-9(2)6-12(15(21)22-3)18-14(20)8-23-16-19-11-7-10(17)4-5-13(11)24-16/h4-5,7,9,12H,6,8H2,1-3H3,(H,18,20)/t12-/m1/s1