4-[4-[2-[2-[(3-cyanophenyl)amino]-1,3-benzoxazol-6-yl]ethanoylamino]phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylic acid

Systemtic Name: 4-[4-[2-[2-[(3-cyanophenyl)amino]-1,3-benzoxazol-6-yl]ethanoylamino]phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylic acid Openeye Name: 4-[4-[[2-[2-(3-cyanoanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid CAS Name: 4-[4-[[2-[2-(3-cyanoanilino)-1,3-benzoxazol-6-yl]-1-oxoethyl]amino]phenyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 4-[4-[[2-[2-(3-cyanoanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-[4-[[2-[2-(3-cyanoanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(2-thenoyl)pyrrolidine-3-carboxylic acid Formula: C32H25N5O5S MolecularWeight: 591.6364

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1C(=O)C2=CC=CS2)C(=O)O)C3=CC=C(C=C3)NC(=O)CC4=CC5=C(C=C4)N=C(O5)NC6=CC=CC(=C6)C#N

Isomeric SMILES

C1C(C(CN1C(=O)C2=CC=CS2)C(=O)O)C3=CC=C(C=C3)NC(=O)CC4=CC5=C(C=C4)N=C(O5)NC6=CC=CC(=C6)C#N

InChI

InChI=1S/C32H25N5O5S/c33-16-20-3-1-4-23(13-20)35-32-36-26-11-6-19(14-27(26)42-32)15-29(38)34-22-9-7-21(8-10-22)24-17-37(18-25(24)31(40)41)30(39)28-5-2-12-43-28/h1-14,24-25H,15,17-18H2,(H,34,38)(H,35,36)(H,40,41)