N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]piazthiole-4-sulfonamide Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H17N3O4S2/c1-3-23-15-8-11-7-10(2)24-14(11)9-13(15)20-26(21,22)16-6-4-5-12-17(16)19-25-18-12/h4-6,8-10,20H,3,7H2,1-2H3/t10-/m0/s1