(phenylmethyl) 3-[[(Z)-3-phenyl-2-(phenylcarbonylsulfanylmethyl)prop-2-enoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-[[(Z)-3-phenyl-2-(phenylcarbonylsulfanylmethyl)prop-2-enoyl]amino]propanoate Openeye Name: benzyl 3-[[(Z)-2-(benzoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate CAS Name: 3-[[(Z)-2-[(benzoylthio)methyl]-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(Z)-2-(benzoylsulfanylmethyl)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(Z)-2-[(benzoylthio)methyl]-3-phenyl-acryloyl]amino]propionic acid benzyl ester Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCNC(=O)C(=CC2=CC=CC=C2)CSC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCNC(=O)/C(=C/C2=CC=CC=C2)/CSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H25NO4S/c29-25(32-19-22-12-6-2-7-13-22)16-17-28-26(30)24(18-21-10-4-1-5-11-21)20-33-27(31)23-14-8-3-9-15-23/h1-15,18H,16-17,19-20H2,(H,28,30)/b24-18+