methyl 4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]benzoate Openeye Name: methyl 4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]benzoate CAS Name: 4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]benzoate Traditional Name: 4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]benzoic acid methyl ester Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=S

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C16H13NO2S2/c1-19-15(18)12-8-6-11(7-9-12)10-17-13-4-2-3-5-14(13)21-16(17)20/h2-9H,10H2,1H3