methyl 2-(5-chloranyl-4-methyl-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(5-chloranyl-4-methyl-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(5-chloro-4-methyl-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[5-chloro-4-methyl-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(5-chloro-4-methyl-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(5-chloro-4-methyl-2-valerylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C16H19ClN2O3S MolecularWeight: 354.85166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(S1)C=CC(=C2C)Cl)CC(=O)OC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=CC(=C2C)Cl)CC(=O)OC

InChI

InChI=1S/C16H19ClN2O3S/c1-4-5-6-13(20)18-16-19(9-14(21)22-3)15-10(2)11(17)7-8-12(15)23-16/h7-8H,4-6,9H2,1-3H3