methyl (2R)-2-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(E)-3-(2-ethylbenzofuran-3-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(E)-3-(2-ethyl-3-benzofuranyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(E)-3-(2-ethylbenzofuran-3-yl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C19H23NO4S/c1-4-16-14(13-7-5-6-8-17(13)24-16)9-10-18(21)20-15(11-12-25-3)19(22)23-2/h5-10,15H,4,11-12H2,1-3H3,(H,20,21)/b10-9+/t15-/m1/s1