ethyl 5-[(3R)-3-ethanoylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(3R)-3-ethanoylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3R)-3-acetylsulfanyl-4-(tert-butoxycarbonylamino)butyl]-4-methyl-thiophene-2-carboxylate CAS Name: 5-[(3R)-3-(acetylthio)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]-4-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3R)-3-acetylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4-methylthiophene-2-carboxylate Traditional Name: 5-[(3R)-3-(acetylthio)-4-(tert-butoxycarbonylamino)butyl]-4-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H29NO5S2 MolecularWeight: 415.56726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(S1)CCC(CNC(=O)OC(C)(C)C)SC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(S1)CC[C@H](CNC(=O)OC(C)(C)C)SC(=O)C)C

InChI

InChI=1S/C19H29NO5S2/c1-7-24-17(22)16-10-12(2)15(27-16)9-8-14(26-13(3)21)11-20-18(23)25-19(4,5)6/h10,14H,7-9,11H2,1-6H3,(H,20,23)/t14-/m1/s1