S-(1,3-benzothiazol-2-yl) 3,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-(1,3-benzothiazol-2-yl) ester Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15NO4S2/c1-20-12-8-10(9-13(21-2)15(12)22-3)16(19)24-17-18-11-6-4-5-7-14(11)23-17/h4-9H,1-3H3