methyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-bromanyl-6-methoxy-benzoate

Systemtic Name: methyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-bromanyl-6-methoxy-benzoate Openeye Name: methyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-bromo-6-methoxy-benzoate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-bromo-6-methoxybenzoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-bromo-6-methoxybenzoate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-bromo-6-methoxy-benzoic acid methyl ester Formula: C17H14BrNO3S2 MolecularWeight: 424.33196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Br)CSC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)Br)CSC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C17H14BrNO3S2/c1-21-13-8-7-11(18)10(15(13)16(20)22-2)9-23-17-19-12-5-3-4-6-14(12)24-17/h3-8H,9H2,1-2H3