[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C25H26N2O4S/c1-25(2,3)27(16-18-8-5-4-6-9-18)22(28)17-31-24(30)19-11-13-20(14-12-19)26-23(29)21-10-7-15-32-21/h4-15H,16-17H2,1-3H3,(H,26,29)