ethyl (Z)-3-azanyl-4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]but-2-enoate

Systemtic Name: ethyl (Z)-3-azanyl-4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]but-2-enoate Openeye Name: ethyl (Z)-3-amino-4-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]but-2-enoate CAS Name: (Z)-3-amino-4-[2-(1,3-dioxo-2-isoindolyl)ethylthio]-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-amino-4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]but-2-enoate Traditional Name: (Z)-3-amino-4-(2-phthalimidoethylthio)but-2-enoic acid ethyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(CSCCN1C(=O)C2=CC=CC=C2C1=O)N

Isomeric SMILES

CCOC(=O)/C=C(/CSCCN1C(=O)C2=CC=CC=C2C1=O)\N

InChI

InChI=1S/C16H18N2O4S/c1-2-22-14(19)9-11(17)10-23-8-7-18-15(20)12-5-3-4-6-13(12)16(18)21/h3-6,9H,2,7-8,10,17H2,1H3/b11-9-