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

Systemtic Name: (2,4-dimethylphenyl)methyl 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: (2,4-dimethylphenyl)methyl 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 (2,4-dimethylphenyl)methyl ester IUPAC Name: (2,4-dimethylphenyl)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 (2,4-dimethylbenzyl) ester Formula: C18H16ClNO3S MolecularWeight: 361.84254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO3S/c1-11-6-7-13(12(2)8-11)10-23-16(21)9-20-17-14(19)4-3-5-15(17)24-18(20)22/h3-8H,9-10H2,1-2H3