(4-nitrophenyl)methyl (Z)-4-methyl-5-phenylsulfanyl-3-(prop-2-enylamino)pent-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (Z)-4-methyl-5-phenylsulfanyl-3-(prop-2-enylamino)pent-2-enoate Openeye Name: (4-nitrophenyl)methyl (Z)-3-(allylamino)-4-methyl-5-phenylsulfanyl-pent-2-enoate CAS Name: (Z)-4-methyl-5-(phenylthio)-3-(prop-2-enylamino)-2-pentenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (Z)-4-methyl-5-phenylsulfanyl-3-(prop-2-enylamino)pent-2-enoate Traditional Name: (Z)-3-(allylamino)-4-methyl-5-(phenylthio)pent-2-enoic acid (4-nitrobenzyl) ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)C(=CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NCC=C

Isomeric SMILES

CC(CSC1=CC=CC=C1)/C(=C/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])/NCC=C

InChI

InChI=1S/C22H24N2O4S/c1-3-13-23-21(17(2)16-29-20-7-5-4-6-8-20)14-22(25)28-15-18-9-11-19(12-10-18)24(26)27/h3-12,14,17,23H,1,13,15-16H2,2H3/b21-14-