ethanedioic acid; 3-[[methyl(phenethyl)amino]methyl]-3H-2-benzothiophen-1-one

Systemtic Name: ethanedioic acid; 3-[[methyl(phenethyl)amino]methyl]-3H-2-benzothiophen-1-one Openeye Name: 3-[[methyl(phenethyl)amino]methyl]-3H-2-benzothiophen-1-one; oxalic acid CAS Name: 3-[[methyl(phenethyl)amino]methyl]-3H-2-benzothiophen-1-one; oxalic acid IUPAC Name: 3-[[methyl(phenethyl)amino]methyl]-3H-2-benzothiophen-1-one; oxalic acid Traditional Name: 3-[[methyl(phenethyl)amino]methyl]-3H-isobenzothiophen-1-one; oxalic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)CC2C3=CC=CC=C3C(=O)S2.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)CC2C3=CC=CC=C3C(=O)S2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19NOS.C2H2O4/c1-19(12-11-14-7-3-2-4-8-14)13-17-15-9-5-6-10-16(15)18(20)21-17;3-1(4)2(5)6/h2-10,17H,11-13H2,1H3;(H,3,4)(H,5,6)