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

Systemtic Name: methyl 5-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-2-methoxy-3-methyl-benzoate Openeye Name: methyl 5-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-2-methoxy-3-methyl-benzoate CAS Name: 5-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-2-methoxy-3-methylbenzoic acid methyl ester IUPAC Name: methyl 5-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-2-methoxy-3-methylbenzoate Traditional Name: 5-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-2-methoxy-3-methyl-benzoic acid methyl ester Formula: C18H16ClNO3S2 MolecularWeight: 393.90754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CSC2=NC3=C(S2)C=CC(=C3)Cl)C(=O)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)CSC2=NC3=C(S2)C=CC(=C3)Cl)C(=O)OC)OC

InChI

InChI=1S/C18H16ClNO3S2/c1-10-6-11(7-13(16(10)22-2)17(21)23-3)9-24-18-20-14-8-12(19)4-5-15(14)25-18/h4-8H,9H2,1-3H3