[1,3-benzothiazol-2-ylsulfanyl(phenyl)methyl] 4-chloranylbenzoate

Systemtic Name: [1,3-benzothiazol-2-ylsulfanyl(phenyl)methyl] 4-chloranylbenzoate Openeye Name: [1,3-benzothiazol-2-ylsulfanyl(phenyl)methyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(1,3-benzothiazol-2-ylthio)-phenylmethyl] ester IUPAC Name: [1,3-benzothiazol-2-ylsulfanyl(phenyl)methyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1,3-benzothiazol-2-ylthio)-phenyl-methyl] ester Formula: C21H14ClNO2S2 MolecularWeight: 411.92436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(OC(=O)C2=CC=C(C=C2)Cl)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(OC(=O)C2=CC=C(C=C2)Cl)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H14ClNO2S2/c22-16-12-10-14(11-13-16)19(24)25-20(15-6-2-1-3-7-15)27-21-23-17-8-4-5-9-18(17)26-21/h1-13,20H