5-[(E)-3-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)prop-2-enoyl]oxypentyl (E)-3-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)prop-2-enoate

Systemtic Name: 5-[(E)-3-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)prop-2-enoyl]oxypentyl (E)-3-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)prop-2-enoate Openeye Name: 5-[(E)-3-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)prop-2-enoyl]oxypentyl (E)-3-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)prop-2-enoate CAS Name: (E)-3-[3-methyl-2-(phenylthio)-4-imidazolyl]-2-propenoic acid 5-[(E)-3-[3-methyl-2-(phenylthio)-4-imidazolyl]-1-oxoprop-2-enoxy]pentyl ester IUPAC Name: 5-[(E)-3-(3-methyl-2-phenylsulfanylimidazol-4-yl)prop-2-enoyl]oxypentyl (E)-3-(3-methyl-2-phenylsulfanylimidazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[3-methyl-2-(phenylthio)imidazol-4-yl]acrylic acid 5-[(E)-3-[3-methyl-2-(phenylthio)imidazol-4-yl]acryloyl]oxypentyl ester Formula: C31H32N4O4S2 MolecularWeight: 588.74018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC2=CC=CC=C2)C=CC(=O)OCCCCCOC(=O)C=CC3=CN=C(N3C)SC4=CC=CC=C4

Isomeric SMILES

CN1C(=NC=C1/C=C/C(=O)OCCCCCOC(=O)/C=C/C2=CN=C(N2C)SC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C31H32N4O4S2/c1-34-24(22-32-30(34)40-26-12-6-3-7-13-26)16-18-28(36)38-20-10-5-11-21-39-29(37)19-17-25-23-33-31(35(25)2)41-27-14-8-4-9-15-27/h3-4,6-9,12-19,22-23H,5,10-11,20-21H2,1-2H3/b18-16+,19-17+