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

Systemtic Name: (4-nitrophenyl)methyl (Z)-2-ethanoyl-4-methyl-5-phenylsulfanyl-3-(prop-2-enylamino)pent-2-enoate Openeye Name: (4-nitrophenyl)methyl (Z)-2-acetyl-3-(allylamino)-4-methyl-5-phenylsulfanyl-pent-2-enoate CAS Name: (Z)-2-acetyl-4-methyl-5-(phenylthio)-3-(prop-2-enylamino)-2-pentenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (Z)-2-acetyl-4-methyl-5-phenylsulfanyl-3-(prop-2-enylamino)pent-2-enoate Traditional Name: (Z)-2-acetyl-3-(allylamino)-4-methyl-5-(phenylthio)pent-2-enoic acid (4-nitrobenzyl) ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5S/c1-4-14-25-23(17(2)16-32-21-8-6-5-7-9-21)22(18(3)27)24(28)31-15-19-10-12-20(13-11-19)26(29)30/h4-13,17,25H,1,14-16H2,2-3H3/b23-22-