[4-(1-benzothiophen-2-yl)but-3-yn-2-yl-phenylmethoxycarbonyl-amino] (phenylmethyl) carbonate

Systemtic Name: [4-(1-benzothiophen-2-yl)but-3-yn-2-yl-phenylmethoxycarbonyl-amino] (phenylmethyl) carbonate Openeye Name: [[3-(benzothiophen-2-yl)-1-methyl-prop-2-ynyl]-benzyloxycarbonyl-amino] benzyl carbonate CAS Name: carbonic acid [4-(1-benzothiophen-2-yl)but-3-yn-2-yl-phenylmethoxycarbonylamino] (phenylmethyl) ester IUPAC Name: [4-(1-benzothiophen-2-yl)but-3-yn-2-yl-phenylmethoxycarbonylamino] benzyl carbonate Traditional Name: carbonic acid [[3-(benzothiophen-2-yl)-1-methyl-prop-2-ynyl]-carbobenzoxy-amino] benzyl ester Formula: C28H23NO5S MolecularWeight: 485.55092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC2=CC=CC=C2S1)N(C(=O)OCC3=CC=CC=C3)OC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C#CC1=CC2=CC=CC=C2S1)N(C(=O)OCC3=CC=CC=C3)OC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H23NO5S/c1-21(16-17-25-18-24-14-8-9-15-26(24)35-25)29(27(30)32-19-22-10-4-2-5-11-22)34-28(31)33-20-23-12-6-3-7-13-23/h2-15,18,21H,19-20H2,1H3