O-(phenylmethyl) [(5Z)-9-phenylmethoxycarbothioylsulfanyl-13-thiabicyclo[8.2.1]tridec-5-en-2-yl]sulfanylmethanethioate

Systemtic Name: O-(phenylmethyl) [(5Z)-9-phenylmethoxycarbothioylsulfanyl-13-thiabicyclo[8.2.1]tridec-5-en-2-yl]sulfanylmethanethioate Openeye Name: O-benzyl [(5Z)-9-benzyloxycarbothioylsulfanyl-13-thiabicyclo[8.2.1]tridec-5-en-2-yl]sulfanylmethanethioate CAS Name: [[(5Z)-9-[[phenylmethoxy(sulfanylidene)methyl]thio]-13-thiabicyclo[8.2.1]tridec-5-en-2-yl]thio]methanethioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl [(5Z)-9-phenylmethoxycarbothioylsulfanyl-13-thiabicyclo[8.2.1]tridec-5-en-2-yl]sulfanylmethanethioate Traditional Name: [[(5Z)-9-(benzoxycarbothioylthio)-13-thiabicyclo[8.2.1]tridec-5-en-2-yl]thio]methanethioic acid O-benzyl ester Formula: C28H32O2S5 MolecularWeight: 560.87748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2CCC(S2)C(CCC=C1)SC(=S)OCC3=CC=CC=C3)SC(=S)OCC4=CC=CC=C4

Isomeric SMILES

C/1CC(C2CCC(S2)C(CC/C=C1)SC(=S)OCC3=CC=CC=C3)SC(=S)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32O2S5/c31-27(29-19-21-11-5-3-6-12-21)34-23-15-9-1-2-10-16-24(26-18-17-25(23)33-26)35-28(32)30-20-22-13-7-4-8-14-22/h1-8,11-14,23-26H,9-10,15-20H2/b2-1-