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

Systemtic Name: (3-methylphenyl)methyl 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: m-tolylmethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(4-chloro-2-keto-1,3-benzothiazol-3-yl)acetic acid (3-methylbenzyl) ester Formula: C17H14ClNO3S MolecularWeight: 347.81596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)CN2C3=C(C=CC=C3Cl)SC2=O

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)CN2C3=C(C=CC=C3Cl)SC2=O

InChI

InChI=1S/C17H14ClNO3S/c1-11-4-2-5-12(8-11)10-22-15(20)9-19-16-13(18)6-3-7-14(16)23-17(19)21/h2-8H,9-10H2,1H3