2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanoic acid

Systemtic Name: 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanoic acid Openeye Name: 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid CAS Name: 2-[6-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,4-benzothiazin-4-yl]acetic acid IUPAC Name: 2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid Traditional Name: 2-(6-pyrrolidinosulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid Formula: C14H18N2O4S2 MolecularWeight: 342.43372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCN3CC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCN3CC(=O)O

InChI

InChI=1S/C14H18N2O4S2/c17-14(18)10-15-7-8-21-13-4-3-11(9-12(13)15)22(19,20)16-5-1-2-6-16/h3-4,9H,1-2,5-8,10H2,(H,17,18)