methyl 4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C16H12ClNO2S2 MolecularWeight: 349.85498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C16H12ClNO2S2/c1-20-15(19)11-4-2-10(3-5-11)9-21-16-18-13-8-12(17)6-7-14(13)22-16/h2-8H,9H2,1H3