[(2R)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl] ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=CC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC[C@H](C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C24H23N3O3S/c1-3-20(22(28)27-23-18(13-25)16-9-5-7-11-21(16)31-23)30-24(29)17-12-14(2)26-19-10-6-4-8-15(17)19/h4,6,8,10,12,20H,3,5,7,9,11H2,1-2H3,(H,27,28)/t20-/m1/s1