[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 3-[(2-methylthiazol-4-yl)methoxy]benzoate CAS Name: 3-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Traditional Name: 3-[(2-methylthiazol-4-yl)methoxy]benzoic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)OCC3=CSC(=N3)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)OCC3=CSC(=N3)C

InChI

InChI=1S/C25H28N2O4S/c1-5-16(2)22-11-6-7-12-23(22)27-24(28)17(3)31-25(29)19-9-8-10-21(13-19)30-14-20-15-32-18(4)26-20/h6-13,15-17H,5,14H2,1-4H3,(H,27,28)