methyl 2-(5-chloranyl-6-cyclohexyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(5-chloranyl-6-cyclohexyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(5-chloro-6-cyclohexyl-2-oxo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(5-chloro-6-cyclohexyl-2-oxo-1,3-benzothiazol-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(5-chloro-6-cyclohexyl-2-oxo-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(5-chloro-6-cyclohexyl-2-keto-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C16H18ClNO3S MolecularWeight: 339.83702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C(=C2)Cl)C3CCCCC3)SC1=O

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C(=C2)Cl)C3CCCCC3)SC1=O

InChI

InChI=1S/C16H18ClNO3S/c1-21-15(19)9-18-13-8-12(17)11(7-14(13)22-16(18)20)10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3