3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4-methyl-benzoate Openeye Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4-methylbenzoate IUPAC Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4-methyl-benzoate Formula: C17H15N2O5S2- MolecularWeight: 391.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)[O-])C

InChI

InChI=1S/C17H16N2O5S2/c1-3-24-12-6-7-13-14(9-12)25-17(18-13)19-26(22,23)15-8-11(16(20)21)5-4-10(15)2/h4-9H,3H2,1-2H3,(H,18,19)(H,20,21)/p-1