propyl 4-(4-tert-butylphenyl)-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: propyl 4-(4-tert-butylphenyl)-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: propyl 4-(4-tert-butylphenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-tert-butylphenyl)-2-[[1-oxo-2-(phenylthio)ethyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 4-(4-tert-butylphenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-tert-butylphenyl)-2-[[2-(phenylthio)acetyl]amino]thiophene-3-carboxylic acid propyl ester Formula: C26H29NO3S2 MolecularWeight: 467.64336

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C26H29NO3S2/c1-5-15-30-25(29)23-21(18-11-13-19(14-12-18)26(2,3)4)16-32-24(23)27-22(28)17-31-20-9-7-6-8-10-20/h6-14,16H,5,15,17H2,1-4H3,(H,27,28)