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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)OC)CCC(CNC(=O)OC(C)(C)C)SC(=O)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)OC)CC[C@@H](CNC(=O)OC(C)(C)C)SC(=O)C

InChI

InChI=1S/C18H27NO5S2/c1-11-9-15(16(21)23-6)26-14(11)8-7-13(25-12(2)20)10-19-17(22)24-18(3,4)5/h9,13H,7-8,10H2,1-6H3,(H,19,22)/t13-/m0/s1