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

Systemtic Name: methyl 5-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2,2-dimethyl-4-oxidanylidene-pentanoate Openeye Name: methyl 5-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2,2-dimethyl-4-oxo-pentanoate CAS Name: 5-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2,2-dimethyl-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2,2-dimethyl-4-oxopentanoate Traditional Name: 5-[(5-chloro-1,3-benzothiazol-2-yl)thio]-4-keto-2,2-dimethyl-valeric acid methyl ester Formula: C15H16ClNO3S2 MolecularWeight: 357.87544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO3S2/c1-15(2,13(19)20-3)7-10(18)8-21-14-17-11-6-9(16)4-5-12(11)22-14/h4-6H,7-8H2,1-3H3