2-methoxyethyl 4-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C20H22BrN3O6S MolecularWeight: 512.37418

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C2=CC=CC=C2C=C1)Br

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C2=CC=CC=C2C=C1)Br

InChI

InChI=1S/C20H22BrN3O6S/c1-28-10-11-29-18(27)9-8-16(25)22-20(31)24-23-17(26)12-30-15-7-6-13-4-2-3-5-14(13)19(15)21/h2-7H,8-12H2,1H3,(H,23,26)(H2,22,24,25,31)