(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 4-methoxybenzoate

Systemtic Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 4-methoxybenzoate Openeye Name: (2-thioxo-1,3-benzothiazol-3-yl)methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl ester IUPAC Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (2-thioxo-1,3-benzothiazol-3-yl)methyl ester Formula: C16H13NO3S2 MolecularWeight: 331.40932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCN2C3=CC=CC=C3SC2=S

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C16H13NO3S2/c1-19-12-8-6-11(7-9-12)15(18)20-10-17-13-4-2-3-5-14(13)22-16(17)21/h2-9H,10H2,1H3