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

Systemtic Name: [4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl-phenoxycarbonyl-amino] phenyl carbonate Openeye Name: [[3-[5-[(4-fluorophenyl)methyl]-2-thienyl]-1-methyl-prop-2-ynyl]-phenoxycarbonyl-amino] phenyl carbonate CAS Name: carbonic acid [4-[5-[(4-fluorophenyl)methyl]-2-thiophenyl]but-3-yn-2-yl-[oxo(phenoxy)methyl]amino] phenyl ester IUPAC Name: [4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl-phenoxycarbonylamino] phenyl carbonate Traditional Name: carbonic acid [carbophenoxy-[3-[5-(4-fluorobenzyl)-2-thienyl]-1-methyl-prop-2-ynyl]amino] phenyl ester Formula: C29H22FNO5S MolecularWeight: 515.552083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=C(S1)CC2=CC=C(C=C2)F)N(C(=O)OC3=CC=CC=C3)OC(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C#CC1=CC=C(S1)CC2=CC=C(C=C2)F)N(C(=O)OC3=CC=CC=C3)OC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C29H22FNO5S/c1-21(12-17-26-18-19-27(37-26)20-22-13-15-23(30)16-14-22)31(28(32)34-24-8-4-2-5-9-24)36-29(33)35-25-10-6-3-7-11-25/h2-11,13-16,18-19,21H,20H2,1H3