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

Systemtic Name: methyl 4-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-ethoxy-2-oxo-ethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(2-ethoxy-2-oxoethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-ethoxy-2-oxoethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(2-ethoxy-2-keto-ethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C21H20N2O7S2 MolecularWeight: 476.5227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C21H20N2O7S2/c1-4-30-18(24)12-23-16-10-9-15(32(3,27)28)11-17(16)31-21(23)22-19(25)13-5-7-14(8-6-13)20(26)29-2/h5-11H,4,12H2,1-3H3