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

Systemtic Name: methyl 4-[[3-(2-ethoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-ethoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(2-ethoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-ethoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(2-ethoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O6S2/c1-3-29-11-10-23-16-9-8-15(31(21,26)27)12-17(16)30-20(23)22-18(24)13-4-6-14(7-5-13)19(25)28-2/h4-9,12H,3,10-11H2,1-2H3,(H2,21,26,27)