[aminocarbonyl-[4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]amino] 2-(3-phenoxyphenyl)propanoate

Systemtic Name: [aminocarbonyl-[4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]amino] 2-(3-phenoxyphenyl)propanoate Openeye Name: [carbamoyl-[3-[5-[(4-fluorophenyl)methyl]-2-thienyl]-1-methyl-prop-2-ynyl]amino] 2-(3-phenoxyphenyl)propanoate CAS Name: 2-(3-phenoxyphenyl)propanoic acid [carbamoyl-[4-[5-[(4-fluorophenyl)methyl]-2-thiophenyl]but-3-yn-2-yl]amino] ester IUPAC Name: [carbamoyl-[4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]amino] 2-(3-phenoxyphenyl)propanoate Traditional Name: 2-(3-phenoxyphenyl)propionic acid [carbamoyl-[3-[5-(4-fluorobenzyl)-2-thienyl]-1-methyl-prop-2-ynyl]amino] ester Formula: C31H27FN2O4S MolecularWeight: 542.620483

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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)N)OC(=O)C(C)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C31H27FN2O4S/c1-21(11-16-28-17-18-29(39-28)19-23-12-14-25(32)15-13-23)34(31(33)36)38-30(35)22(2)24-7-6-10-27(20-24)37-26-8-4-3-5-9-26/h3-10,12-15,17-18,20-22H,19H2,1-2H3,(H2,33,36)