[[2-(1-benzothiophen-5-ylmethylsulfanyl)-1-(furan-2-yl)ethyl]-phenylmethoxycarbonyl-amino] (phenylmethyl) carbonate

Systemtic Name: [[2-(1-benzothiophen-5-ylmethylsulfanyl)-1-(furan-2-yl)ethyl]-phenylmethoxycarbonyl-amino] (phenylmethyl) carbonate Openeye Name: [[2-(benzothiophen-5-ylmethylsulfanyl)-1-(2-furyl)ethyl]-benzyloxycarbonyl-amino] benzyl carbonate CAS Name: carbonic acid [[2-(1-benzothiophen-5-ylmethylthio)-1-(2-furanyl)ethyl]-phenylmethoxycarbonylamino] (phenylmethyl) ester IUPAC Name: [[2-(1-benzothiophen-5-ylmethylsulfanyl)-1-(furan-2-yl)ethyl]-phenylmethoxycarbonylamino] benzyl carbonate Traditional Name: carbonic acid [[2-(benzothiophen-5-ylmethylthio)-1-(2-furyl)ethyl]-carbobenzoxy-amino] benzyl ester Formula: C31H27NO6S2 MolecularWeight: 573.67918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C(CSCC2=CC3=C(C=C2)SC=C3)C4=CC=CO4)OC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C(CSCC2=CC3=C(C=C2)SC=C3)C4=CC=CO4)OC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H27NO6S2/c33-30(36-19-23-8-3-1-4-9-23)32(38-31(34)37-20-24-10-5-2-6-11-24)27(28-12-7-16-35-28)22-39-21-25-13-14-29-26(18-25)15-17-40-29/h1-18,27H,19-22H2