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

Systemtic Name: methyl 4-[[3-(3-methoxy-3-oxidanylidene-propyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(3-methoxy-3-oxo-propyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(3-methoxy-3-oxopropyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-methoxy-3-oxopropyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(3-keto-3-methoxy-propyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C20H19N3O7S2 MolecularWeight: 477.51076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O7S2/c1-29-17(24)9-10-23-15-8-7-14(32(21,27)28)11-16(15)31-20(23)22-18(25)12-3-5-13(6-4-12)19(26)30-2/h3-8,11H,9-10H2,1-2H3,(H2,21,27,28)