[3-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]prop-2-ynyl-phenoxycarbonyl-amino] phenyl carbonate

Systemtic Name: [3-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]prop-2-ynyl-phenoxycarbonyl-amino] phenyl carbonate Openeye Name: [3-[5-[(4-fluorophenyl)methyl]-2-thienyl]prop-2-ynyl-phenoxycarbonyl-amino] phenyl carbonate CAS Name: carbonic acid [3-[5-[(4-fluorophenyl)methyl]-2-thiophenyl]prop-2-ynyl-[oxo(phenoxy)methyl]amino] phenyl ester IUPAC Name: [3-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]prop-2-ynyl-phenoxycarbonylamino] phenyl carbonate Traditional Name: carbonic acid [carbophenoxy-[3-[5-(4-fluorobenzyl)-2-thienyl]prop-2-ynyl]amino] phenyl ester Formula: C28H20FNO5S MolecularWeight: 501.525503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)N(CC#CC2=CC=C(S2)CC3=CC=C(C=C3)F)OC(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)N(CC#CC2=CC=C(S2)CC3=CC=C(C=C3)F)OC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H20FNO5S/c29-22-15-13-21(14-16-22)20-26-18-17-25(36-26)12-7-19-30(27(31)33-23-8-3-1-4-9-23)35-28(32)34-24-10-5-2-6-11-24/h1-6,8-11,13-18H,19-20H2