S-(1,3-benzothiazol-2-yl) 3-(4-methoxyphenyl)benzenecarbothioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 3-(4-methoxyphenyl)benzenecarbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) 3-(4-methoxyphenyl)benzenecarbothioate CAS Name: 3-(4-methoxyphenyl)benzenecarbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 3-(4-methoxyphenyl)benzenecarbothioate Traditional Name: 3-(4-methoxyphenyl)thiobenzoic acid S-(1,3-benzothiazol-2-yl) ester Formula: C21H15NO2S2 MolecularWeight: 377.4793

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H15NO2S2/c1-24-17-11-9-14(10-12-17)15-5-4-6-16(13-15)20(23)26-21-22-18-7-2-3-8-19(18)25-21/h2-13H,1H3