2-phenylcyclopropan-1-one; 2-[3-(phenylmethyl)furan-2-yl]-2-(sulfanylmethylamino)ethanoic acid

Systemtic Name: 2-phenylcyclopropan-1-one; 2-[3-(phenylmethyl)furan-2-yl]-2-(sulfanylmethylamino)ethanoic acid Openeye Name: 2-(3-benzyl-2-furyl)-2-(sulfanylmethylamino)acetic acid; 2-phenylcyclopropanone CAS Name: 2-(mercaptomethylamino)-2-[3-(phenylmethyl)-2-furanyl]acetic acid; 2-phenyl-1-cyclopropanone IUPAC Name: 2-(3-benzylfuran-2-yl)-2-(sulfanylmethylamino)acetic acid; 2-phenylcyclopropan-1-one Traditional Name: 2-(3-benzyl-2-furyl)-2-(mercaptomethylamino)acetic acid; 2-phenylcyclopropanone Formula: C23H23NO4S MolecularWeight: 409.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C1=O)C2=CC=CC=C2.C1=CC=C(C=C1)CC2=C(OC=C2)C(C(=O)O)NCS

Isomeric SMILES

C1C(C1=O)C2=CC=CC=C2.C1=CC=C(C=C1)CC2=C(OC=C2)C(C(=O)O)NCS

InChI

InChI=1S/C14H15NO3S.C9H8O/c16-14(17)12(15-9-19)13-11(6-7-18-13)8-10-4-2-1-3-5-10;10-9-6-8(9)7-4-2-1-3-5-7/h1-7,12,15,19H,8-9H2,(H,16,17);1-5,8H,6H2