[2-oxidanylidene-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-oxo-2-(1-tetralin-6-ylethylamino)ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-keto-2-(1-tetralin-6-ylethylamino)ethyl] ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)COC(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)COC(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C24H25N3O3S/c1-16(18-11-10-17-6-2-3-7-19(17)12-18)26-22(28)14-30-24(29)15-31-23-13-25-20-8-4-5-9-21(20)27-23/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,26,28)