[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C22H23N3O3S/c1-16(2)25(13-17-8-4-3-5-9-17)21(26)14-28-22(27)15-29-20-12-23-18-10-6-7-11-19(18)24-20/h3-12,16H,13-15H2,1-2H3