2-phenyl-3-[4-[[3-(1,3-thiazol-5-ylcarbonylamino)pyrrolidin-1-yl]methyl]phenyl]quinoxaline-6-carboxylic acid

Systemtic Name: 2-phenyl-3-[4-[[3-(1,3-thiazol-5-ylcarbonylamino)pyrrolidin-1-yl]methyl]phenyl]quinoxaline-6-carboxylic acid Openeye Name: 2-phenyl-3-[4-[[3-(thiazole-5-carbonylamino)pyrrolidin-1-yl]methyl]phenyl]quinoxaline-6-carboxylic acid CAS Name: 3-[4-[[3-[[oxo(5-thiazolyl)methyl]amino]-1-pyrrolidinyl]methyl]phenyl]-2-phenyl-6-quinoxalinecarboxylic acid IUPAC Name: 2-phenyl-3-[4-[[3-(1,3-thiazole-5-carbonylamino)pyrrolidin-1-yl]methyl]phenyl]quinoxaline-6-carboxylic acid Traditional Name: 2-phenyl-3-[4-[[3-(thiazole-5-carbonylamino)pyrrolidino]methyl]phenyl]quinoxaline-6-carboxylic acid Formula: C30H25N5O3S MolecularWeight: 535.6162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=CN=CS2)CC3=CC=C(C=C3)C4=NC5=C(C=CC(=C5)C(=O)O)N=C4C6=CC=CC=C6

Isomeric SMILES

C1CN(CC1NC(=O)C2=CN=CS2)CC3=CC=C(C=C3)C4=NC5=C(C=CC(=C5)C(=O)O)N=C4C6=CC=CC=C6

InChI

InChI=1S/C30H25N5O3S/c36-29(26-15-31-18-39-26)32-23-12-13-35(17-23)16-19-6-8-21(9-7-19)28-27(20-4-2-1-3-5-20)33-24-11-10-22(30(37)38)14-25(24)34-28/h1-11,14-15,18,23H,12-13,16-17H2,(H,32,36)(H,37,38)