(Z)-2-[(4-aminophenyl)methyl]-4-(ethanoylsulfanylmethyl)-2-ethyl-3-oxidanylidene-5-phenyl-pent-4-enoic acid

Systemtic Name: (Z)-2-[(4-aminophenyl)methyl]-4-(ethanoylsulfanylmethyl)-2-ethyl-3-oxidanylidene-5-phenyl-pent-4-enoic acid Openeye Name: (Z)-4-(acetylsulfanylmethyl)-2-[(4-aminophenyl)methyl]-2-ethyl-3-oxo-5-phenyl-pent-4-enoic acid CAS Name: (Z)-4-[(acetylthio)methyl]-2-[(4-aminophenyl)methyl]-2-ethyl-3-oxo-5-phenyl-4-pentenoic acid IUPAC Name: (Z)-4-(acetylsulfanylmethyl)-2-[(4-aminophenyl)methyl]-2-ethyl-3-oxo-5-phenylpent-4-enoic acid Traditional Name: (Z)-4-[(acetylthio)methyl]-2-(4-aminobenzyl)-2-ethyl-3-keto-5-phenyl-pent-4-enoic acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)N)(C(=O)C(=CC2=CC=CC=C2)CSC(=O)C)C(=O)O

Isomeric SMILES

CCC(CC1=CC=C(C=C1)N)(C(=O)/C(=C/C2=CC=CC=C2)/CSC(=O)C)C(=O)O

InChI

InChI=1S/C23H25NO4S/c1-3-23(22(27)28,14-18-9-11-20(24)12-10-18)21(26)19(15-29-16(2)25)13-17-7-5-4-6-8-17/h4-13H,3,14-15,24H2,1-2H3,(H,27,28)/b19-13+