S-(1,3-benzothiazol-2-yl) 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 3,4-dimethoxybenzenecarbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-(1,3-benzothiazol-2-yl) ester Formula: C16H13NO3S2 MolecularWeight: 331.40932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C16H13NO3S2/c1-19-12-8-7-10(9-13(12)20-2)15(18)22-16-17-11-5-3-4-6-14(11)21-16/h3-9H,1-2H3