[2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[[2-(tert-butylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)COC(=O)CSC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)COC(=O)CSC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H26N2O4S/c1-21(2,3)22-18(24)12-23(4)19(25)13-27-20(26)14-28-17-10-9-15-7-5-6-8-16(15)11-17/h5-11H,12-14H2,1-4H3,(H,22,24)