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

Systemtic Name: methyl 2-(4-chloranyl-2-propanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(4-chloro-2-propanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[4-chloro-2-(1-oxopropylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chloro-2-propanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(4-chloro-2-propionylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N=C1N(C2=C(S1)C=CC=C2Cl)CC(=O)OC

Isomeric SMILES

CCC(=O)N=C1N(C2=C(S1)C=CC=C2Cl)CC(=O)OC

InChI

InChI=1S/C13H13ClN2O3S/c1-3-10(17)15-13-16(7-11(18)19-2)12-8(14)5-4-6-9(12)20-13/h4-6H,3,7H2,1-2H3