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

Systemtic Name: (4-nitrophenyl)methyl (Z)-2-ethanoyl-4-methyl-3-[(phenylmethyl)amino]-5-phenylsulfanyl-pent-2-enoate Openeye Name: (4-nitrophenyl)methyl (Z)-2-acetyl-3-(benzylamino)-4-methyl-5-phenylsulfanyl-pent-2-enoate CAS Name: (Z)-2-acetyl-4-methyl-3-[(phenylmethyl)amino]-5-(phenylthio)-2-pentenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (Z)-2-acetyl-3-(benzylamino)-4-methyl-5-phenylsulfanylpent-2-enoate Traditional Name: (Z)-2-acetyl-3-(benzylamino)-4-methyl-5-(phenylthio)pent-2-enoic acid (4-nitrobenzyl) ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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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-])NCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O5S/c1-20(19-36-25-11-7-4-8-12-25)27(29-17-22-9-5-3-6-10-22)26(21(2)31)28(32)35-18-23-13-15-24(16-14-23)30(33)34/h3-16,20,29H,17-19H2,1-2H3/b27-26-