2-[5-aminocarbonyl-9-[(4-cyanophenyl)methyl]carbazol-4-yl]oxy-2-thiophen-2-yl-ethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[(4-cyanophenyl)methyl]carbazol-4-yl]oxy-2-thiophen-2-yl-ethanoic acid Openeye Name: 2-[5-carbamoyl-9-[(4-cyanophenyl)methyl]carbazol-4-yl]oxy-2-(2-thienyl)acetic acid CAS Name: 2-[[5-carbamoyl-9-[(4-cyanophenyl)methyl]-4-carbazolyl]oxy]-2-thiophen-2-ylacetic acid IUPAC Name: 2-[5-carbamoyl-9-[(4-cyanophenyl)methyl]carbazol-4-yl]oxy-2-thiophen-2-ylacetic acid Traditional Name: 2-[5-carbamoyl-9-(4-cyanobenzyl)carbazol-4-yl]oxy-2-(2-thienyl)acetic acid Formula: C27H19N3O4S MolecularWeight: 481.52246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N(C3=C2C(=CC=C3)OC(C4=CC=CS4)C(=O)O)CC5=CC=C(C=C5)C#N)C(=O)N

Isomeric SMILES

C1=CC(=C2C(=C1)N(C3=C2C(=CC=C3)OC(C4=CC=CS4)C(=O)O)CC5=CC=C(C=C5)C#N)C(=O)N

InChI

InChI=1S/C27H19N3O4S/c28-14-16-9-11-17(12-10-16)15-30-19-5-1-4-18(26(29)31)23(19)24-20(30)6-2-7-21(24)34-25(27(32)33)22-8-3-13-35-22/h1-13,25H,15H2,(H2,29,31)(H,32,33)