(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-quinoxalin-6-yl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-quinoxalin-6-yl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-indan-2-yl-4-(4-methoxyphenyl)sulfanyl-N-quinoxalin-6-yl-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methoxyphenyl)thio]-N-(6-quinoxalinyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-quinoxalin-6-ylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-indan-2-yl-4-[(4-methoxyphenyl)thio]-N-quinoxalin-6-yl-pyrrolidine-2-carboxamide Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2CC(N(C2)C3CC4=CC=CC=C4C3)C(=O)NC5=CC6=NC=CN=C6C=C5

Isomeric SMILES

COC1=CC=C(C=C1)S[C@@H]2C[C@H](N(C2)C3CC4=CC=CC=C4C3)C(=O)NC5=CC6=NC=CN=C6C=C5

InChI

InChI=1S/C29H28N4O2S/c1-35-23-7-9-24(10-8-23)36-25-17-28(33(18-25)22-14-19-4-2-3-5-20(19)15-22)29(34)32-21-6-11-26-27(16-21)31-13-12-30-26/h2-13,16,22,25,28H,14-15,17-18H2,1H3,(H,32,34)/t25-,28+/m1/s1