propan-2-yl 4-ethyl-5-methyl-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 4-ethyl-5-methyl-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiophene-3-carboxylate Openeye Name: isopropyl 4-ethyl-5-methyl-2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-ethyl-5-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-phenyl-2-(phenylthio)acetyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C25H27NO3S2 MolecularWeight: 453.61678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C

InChI

InChI=1S/C25H27NO3S2/c1-5-20-17(4)30-24(21(20)25(28)29-16(2)3)26-23(27)22(18-12-8-6-9-13-18)31-19-14-10-7-11-15-19/h6-16,22H,5H2,1-4H3,(H,26,27)