N-[4-[(1S)-2-azanyl-1-[[(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]carbonylamino]ethyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[4-[(1S)-2-azanyl-1-[[(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]carbonylamino]ethyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[4-[(1S)-2-amino-1-[[(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl]amino]ethyl]phenyl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[4-[(1S)-2-amino-1-[[[(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-oxomethyl]amino]ethyl]phenyl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[4-[(1S)-2-amino-1-[[(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl]amino]ethyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[4-[(1S)-2-amino-1-[[(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl]amino]ethyl]phenyl]-5-methyl-isoxazole-3-carboxamide Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)C(CN)NC(=O)C3=CC4=CC5=C(CCC(C5)C(C)(C)C)N=C4S3

Isomeric SMILES

CC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)[C@@H](CN)NC(=O)C3=CC4=CC5=C(CC[C@H](C5)C(C)(C)C)N=C4S3

InChI

InChI=1S/C29H33N5O3S/c1-16-11-23(34-37-16)26(35)31-21-8-5-17(6-9-21)24(15-30)32-27(36)25-14-19-12-18-13-20(29(2,3)4)7-10-22(18)33-28(19)38-25/h5-6,8-9,11-12,14,20,24H,7,10,13,15,30H2,1-4H3,(H,31,35)(H,32,36)/t20-,24-/m1/s1