ethyl 2-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[5-[[2-(tert-butoxycarbonylamino)benzoyl]amino]-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-[[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-oxomethyl]amino]-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[5-[[2-(tert-butoxycarbonylamino)benzoyl]amino]-2-pyridyl]thio]acetic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CSC1=NC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H25N3O5S/c1-5-28-18(25)13-30-17-11-10-14(12-22-17)23-19(26)15-8-6-7-9-16(15)24-20(27)29-21(2,3)4/h6-12H,5,13H2,1-4H3,(H,23,26)(H,24,27)