ethanedioic acid; 5-methyl-2-(2-pyrrolidin-1-ylethyl)-1,2-benzothiazol-3-one

Systemtic Name: ethanedioic acid; 5-methyl-2-(2-pyrrolidin-1-ylethyl)-1,2-benzothiazol-3-one Openeye Name: 5-methyl-2-(2-pyrrolidin-1-ylethyl)-1,2-benzothiazol-3-one; oxalic acid CAS Name: 5-methyl-2-[2-(1-pyrrolidinyl)ethyl]-1,2-benzothiazol-3-one; oxalic acid IUPAC Name: 5-methyl-2-(2-pyrrolidin-1-ylethyl)-1,2-benzothiazol-3-one; oxalic acid Traditional Name: 5-methyl-2-(2-pyrrolidinoethyl)-1,2-benzothiazol-3-one; oxalic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SN(C2=O)CCN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SN(C2=O)CCN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H18N2OS.C2H2O4/c1-11-4-5-13-12(10-11)14(17)16(18-13)9-8-15-6-2-3-7-15;3-1(4)2(5)6/h4-5,10H,2-3,6-9H2,1H3;(H,3,4)(H,5,6)