methyl 2-bromanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethylsulfanyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-bromanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethylsulfanyl)thiophene-3-carboxylate Openeye Name: methyl 4-benzylsulfanyl-2-bromo-5-(tert-butoxycarbonylamino)thiophene-3-carboxylate CAS Name: 2-bromo-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(phenylmethylthio)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-benzylsulfanyl-2-bromo-5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate Traditional Name: 4-(benzylthio)-2-bromo-5-(tert-butoxycarbonylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H20BrNO4S2 MolecularWeight: 458.3897

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C(=C(S1)Br)C(=O)OC)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C(=C(S1)Br)C(=O)OC)SCC2=CC=CC=C2

InChI

InChI=1S/C18H20BrNO4S2/c1-18(2,3)24-17(22)20-15-13(12(14(19)26-15)16(21)23-4)25-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,20,22)