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

Systemtic Name: methyl 4-[[3-(2-methoxy-2-oxidanylidene-ethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-methoxy-2-oxo-ethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(2-methoxy-2-oxoethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methoxy-2-oxoethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(2-keto-2-methoxy-ethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C20H18N2O7S2 MolecularWeight: 462.49612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O7S2/c1-28-17(23)11-22-15-9-8-14(31(3,26)27)10-16(15)30-20(22)21-18(24)12-4-6-13(7-5-12)19(25)29-2/h4-10H,11H2,1-3H3