[2-(3-chloranylcyclohexa-1,3-dien-1-yl)-1,3-benzothiazol-6-yl] 2,2-dimethylpropanoate

Systemtic Name: [2-(3-chloranylcyclohexa-1,3-dien-1-yl)-1,3-benzothiazol-6-yl] 2,2-dimethylpropanoate Openeye Name: [2-(3-chlorocyclohexa-1,3-dien-1-yl)-1,3-benzothiazol-6-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(3-chloro-1-cyclohexa-1,3-dienyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(3-chlorocyclohexa-1,3-dien-1-yl)-1,3-benzothiazol-6-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(3-chlorocyclohexa-1,3-dien-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C18H18ClNO2S MolecularWeight: 347.85902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC2=C(C=C1)N=C(S2)C3=CC(=CCC3)Cl

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC2=C(C=C1)N=C(S2)C3=CC(=CCC3)Cl

InChI

InChI=1S/C18H18ClNO2S/c1-18(2,3)17(21)22-13-7-8-14-15(10-13)23-16(20-14)11-5-4-6-12(19)9-11/h6-10H,4-5H2,1-3H3