[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C22H24N2O4S/c1-4-14(2)16-9-5-6-10-17(16)23-21(26)15(3)27-20(25)13-29-22-24-18-11-7-8-12-19(18)28-22/h5-12,14-15H,4,13H2,1-3H3,(H,23,26)