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

Systemtic Name: methyl 4-methyl-5-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxy-butyl]thiophene-2-carboxylate Openeye Name: methyl 5-[(3S)-4-(tert-butoxycarbonylamino)-3-methylsulfonyloxy-butyl]-4-methyl-thiophene-2-carboxylate CAS Name: 4-methyl-5-[(3S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-methylsulfonyloxybutyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-5-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxybutyl]thiophene-2-carboxylate Traditional Name: 5-[(3S)-4-(tert-butoxycarbonylamino)-3-methylsulfonyloxy-butyl]-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C17H27NO7S2 MolecularWeight: 421.52878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO7S2/c1-11-9-14(15(19)23-5)26-13(11)8-7-12(25-27(6,21)22)10-18-16(20)24-17(2,3)4/h9,12H,7-8,10H2,1-6H3,(H,18,20)/t12-/m0/s1