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

Systemtic Name: ethyl 2-(4-chloranyl-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-(4-chloro-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[4-chloro-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-chloro-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(4-chloro-2-valerylimino-1,3-benzothiazol-3-yl)acetic acid ethyl 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=C2Cl)CC(=O)OCC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=CC=C2Cl)CC(=O)OCC

InChI

InChI=1S/C16H19ClN2O3S/c1-3-5-9-13(20)18-16-19(10-14(21)22-4-2)15-11(17)7-6-8-12(15)23-16/h6-8H,3-5,9-10H2,1-2H3