ethyl N-[4-[[(2R,4S)-2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate

Systemtic Name: ethyl N-[4-[[(2R,4S)-2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate Openeye Name: ethyl N-[4-[[(2R,4S)-2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate CAS Name: N-[4-[[(2R,4S)-2-(1-imidazolylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methylthio]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[(2R,4S)-2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate Traditional Name: N-[4-[[(2R,4S)-2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methylthio]phenyl]carbamic acid ethyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)SCC2COC(O2)(CN3C=CN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)SC[C@@H]2CO[C@](O2)(CN3C=CN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O4S/c1-2-34-28(33)31-25-12-14-27(15-13-25)37-19-26-18-35-29(36-26,20-32-17-16-30-21-32)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-17,21,26H,2,18-20H2,1H3,(H,31,33)/t26-,29-/m0/s1