ethyl (E)-3-[3-[3-(phenylmethoxymethyl)-2-phenylsulfanyl-imidazol-4-yl]-1H-indol-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-[3-(phenylmethoxymethyl)-2-phenylsulfanyl-imidazol-4-yl]-1H-indol-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-[3-(benzyloxymethyl)-2-phenylsulfanyl-imidazol-4-yl]-1H-indol-2-yl]prop-2-enoate CAS Name: (E)-3-[3-[3-(phenylmethoxymethyl)-2-(phenylthio)-4-imidazolyl]-1H-indol-2-yl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[3-(phenylmethoxymethyl)-2-phenylsulfanylimidazol-4-yl]-1H-indol-2-yl]prop-2-enoate Traditional Name: (E)-3-[3-[3-(benzoxymethyl)-2-(phenylthio)imidazol-4-yl]-1H-indol-2-yl]acrylic acid ethyl ester Formula: C30H27N3O3S MolecularWeight: 509.61868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C2=CC=CC=C2N1)C3=CN=C(N3COCC4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C2=CC=CC=C2N1)C3=CN=C(N3COCC4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C30H27N3O3S/c1-2-36-28(34)18-17-26-29(24-15-9-10-16-25(24)32-26)27-19-31-30(37-23-13-7-4-8-14-23)33(27)21-35-20-22-11-5-3-6-12-22/h3-19,32H,2,20-21H2,1H3/b18-17+