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

Systemtic Name: methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethylsulfanyl)thiophene-3-carboxylate Openeye Name: methyl 4-benzylsulfanyl-5-(tert-butoxycarbonylamino)thiophene-3-carboxylate CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(phenylmethylthio)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-benzylsulfanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate Traditional Name: 4-(benzylthio)-5-(tert-butoxycarbonylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C(=CS1)C(=O)OC)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C(=CS1)C(=O)OC)SCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO4S2/c1-18(2,3)23-17(21)19-15-14(13(11-25-15)16(20)22-4)24-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,19,21)