methyl 4-[[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C20H20N2O5S3 MolecularWeight: 464.5782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCSC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCSC

InChI

InChI=1S/C20H20N2O5S3/c1-27-19(24)14-6-4-13(5-7-14)18(23)21-20-22(10-11-28-2)16-9-8-15(30(3,25)26)12-17(16)29-20/h4-9,12H,10-11H2,1-3H3