methyl 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C16H12N2O4S2 MolecularWeight: 360.40748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S2/c1-22-15(19)11-4-2-10(3-5-11)9-23-16-17-13-7-6-12(18(20)21)8-14(13)24-16/h2-8H,9H2,1H3