propan-2-yl 4-(4-tert-butylphenyl)-5-methyl-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: propan-2-yl 4-(4-tert-butylphenyl)-5-methyl-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-tert-butylphenyl)-5-methyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-tert-butylphenyl)-5-methyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-tert-butylphenyl)-5-methyl-2-[[2-(phenylthio)acetyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C27H31NO3S2 MolecularWeight: 481.66994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CSC2=CC=CC=C2)C(=O)OC(C)C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CSC2=CC=CC=C2)C(=O)OC(C)C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H31NO3S2/c1-17(2)31-26(30)24-23(19-12-14-20(15-13-19)27(4,5)6)18(3)33-25(24)28-22(29)16-32-21-10-8-7-9-11-21/h7-15,17H,16H2,1-6H3,(H,28,29)