ethanedioic acid; N-(2-phenylsulfanylphenyl)-2-(prop-2-enylamino)ethanamide

Systemtic Name: ethanedioic acid; N-(2-phenylsulfanylphenyl)-2-(prop-2-enylamino)ethanamide Openeye Name: 2-(allylamino)-N-(2-phenylsulfanylphenyl)acetamide; oxalic acid CAS Name: oxalic acid; N-[2-(phenylthio)phenyl]-2-(prop-2-enylamino)acetamide IUPAC Name: oxalic acid; N-(2-phenylsulfanylphenyl)-2-(prop-2-enylamino)acetamide Traditional Name: 2-(allylamino)-N-[2-(phenylthio)phenyl]acetamide; oxalic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCNCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18N2OS.C2H2O4/c1-2-12-18-13-17(20)19-15-10-6-7-11-16(15)21-14-8-4-3-5-9-14;3-1(4)2(5)6/h2-11,18H,1,12-13H2,(H,19,20);(H,3,4)(H,5,6)