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

Systemtic Name: methyl 4-[[3-(3-ethoxy-3-oxidanylidene-propyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(3-ethoxy-3-oxo-propyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(3-ethoxy-3-oxopropyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-ethoxy-3-oxopropyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(3-ethoxy-3-keto-propyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C21H21N3O7S2 MolecularWeight: 491.53734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C21H21N3O7S2/c1-3-31-18(25)10-11-24-16-9-8-15(33(22,28)29)12-17(16)32-21(24)23-19(26)13-4-6-14(7-5-13)20(27)30-2/h4-9,12H,3,10-11H2,1-2H3,(H2,22,28,29)