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

Systemtic Name: ethyl 5-[(3R)-3-ethanoylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]thiophene-2-carboxylate Openeye Name: ethyl 5-[(3R)-3-acetylsulfanyl-4-(tert-butoxycarbonylamino)butyl]thiophene-2-carboxylate CAS Name: 5-[(3R)-3-(acetylthio)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3R)-3-acetylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]thiophene-2-carboxylate Traditional Name: 5-[(3R)-3-(acetylthio)-4-(tert-butoxycarbonylamino)butyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H27NO5S2 MolecularWeight: 401.54068

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO5S2/c1-6-23-16(21)15-10-9-13(26-15)7-8-14(25-12(2)20)11-19-17(22)24-18(3,4)5/h9-10,14H,6-8,11H2,1-5H3,(H,19,22)/t14-/m1/s1