ethyl 6-chloranyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-chloranyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5-oxidanylidene-hexanoate Openeye Name: ethyl 6-chloro-3-(2-methyl-1,3-benzothiazol-5-yl)-5-oxo-hexanoate CAS Name: 6-chloro-3-(2-methyl-1,3-benzothiazol-5-yl)-5-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-chloro-3-(2-methyl-1,3-benzothiazol-5-yl)-5-oxohexanoate Traditional Name: 6-chloro-5-keto-3-(2-methyl-1,3-benzothiazol-5-yl)hexanoic acid ethyl ester Formula: C16H18ClNO3S MolecularWeight: 339.83702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)CCl)C1=CC2=C(C=C1)SC(=N2)C

Isomeric SMILES

CCOC(=O)CC(CC(=O)CCl)C1=CC2=C(C=C1)SC(=N2)C

InChI

InChI=1S/C16H18ClNO3S/c1-3-21-16(20)8-12(6-13(19)9-17)11-4-5-15-14(7-11)18-10(2)22-15/h4-5,7,12H,3,6,8-9H2,1-2H3