(4-nitrophenyl)methyl (Z)-4-methyl-3-[(phenylmethyl)amino]-5-phenylsulfanyl-pent-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (Z)-4-methyl-3-[(phenylmethyl)amino]-5-phenylsulfanyl-pent-2-enoate Openeye Name: (4-nitrophenyl)methyl (Z)-3-(benzylamino)-4-methyl-5-phenylsulfanyl-pent-2-enoate CAS Name: (Z)-4-methyl-3-[(phenylmethyl)amino]-5-(phenylthio)-2-pentenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (Z)-3-(benzylamino)-4-methyl-5-phenylsulfanylpent-2-enoate Traditional Name: (Z)-3-(benzylamino)-4-methyl-5-(phenylthio)pent-2-enoic acid (4-nitrobenzyl) ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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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-])NCC3=CC=CC=C3

Isomeric SMILES

CC(CSC1=CC=CC=C1)/C(=C/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])/NCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4S/c1-20(19-33-24-10-6-3-7-11-24)25(27-17-21-8-4-2-5-9-21)16-26(29)32-18-22-12-14-23(15-13-22)28(30)31/h2-16,20,27H,17-19H2,1H3/b25-16-