methyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-(phenylmethylsulfanyl)thiophene-3-carboxylate

Systemtic Name: methyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-(phenylmethylsulfanyl)thiophene-3-carboxylate Openeye Name: methyl 4-benzylsulfanyl-5-[bis(tert-butoxycarbonyl)amino]thiophene-3-carboxylate CAS Name: 5-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(phenylmethylthio)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-benzylsulfanyl-5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-3-carboxylate Traditional Name: 4-(benzylthio)-5-[bis(tert-butoxycarbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C23H29NO6S2 MolecularWeight: 479.60946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=C(C(=CS1)C(=O)OC)SCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=C(C(=CS1)C(=O)OC)SCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H29NO6S2/c1-22(2,3)29-20(26)24(21(27)30-23(4,5)6)18-17(16(14-32-18)19(25)28-7)31-13-15-11-9-8-10-12-15/h8-12,14H,13H2,1-7H3