O2-tert-butyl O4-ethyl 3-methyl-5-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3-methyl-5-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-phenyl-2-(phenylthio)acetyl]amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C27H29NO5S2 MolecularWeight: 511.65286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C27H29NO5S2/c1-6-32-25(30)20-17(2)21(26(31)33-27(3,4)5)35-24(20)28-23(29)22(18-13-9-7-10-14-18)34-19-15-11-8-12-16-19/h7-16,22H,6H2,1-5H3,(H,28,29)