[2-[[7-acetyloxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-3-(phenylcarbamoyl)indol-7-yl] ethanoate

Systemtic Name: [2-[[7-acetyloxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-3-(phenylcarbamoyl)indol-7-yl] ethanoate Openeye Name: [2-[[7-acetoxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-3-(phenylcarbamoyl)indol-7-yl] acetate CAS Name: acetic acid [2-[[7-acetyloxy-3-[anilino(oxo)methyl]-1-methyl-2-indolyl]disulfanyl]-3-[anilino(oxo)methyl]-1-methyl-7-indolyl] ester IUPAC Name: [2-[[7-acetyloxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-3-(phenylcarbamoyl)indol-7-yl] acetate Traditional Name: acetic acid [2-[[7-acetoxy-1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1-methyl-3-(phenylcarbamoyl)indol-7-yl] ester Formula: C36H30N4O6S2 MolecularWeight: 678.7766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC2=C1N(C(=C2C(=O)NC3=CC=CC=C3)SSC4=C(C5=C(N4C)C(=CC=C5)OC(=O)C)C(=O)NC6=CC=CC=C6)C

Isomeric SMILES

CC(=O)OC1=CC=CC2=C1N(C(=C2C(=O)NC3=CC=CC=C3)SSC4=C(C5=C(N4C)C(=CC=C5)OC(=O)C)C(=O)NC6=CC=CC=C6)C

InChI

InChI=1S/C36H30N4O6S2/c1-21(41)45-27-19-11-17-25-29(33(43)37-23-13-7-5-8-14-23)35(39(3)31(25)27)47-48-36-30(34(44)38-24-15-9-6-10-16-24)26-18-12-20-28(46-22(2)42)32(26)40(36)4/h5-20H,1-4H3,(H,37,43)(H,38,44)