(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H21N3O4S/c1-17(24(30)28-19-9-3-2-4-10-19)32-25(31)21-12-5-6-13-22(21)33-16-23(29)27-20-11-7-8-18(14-20)15-26/h2-14,17H,16H2,1H3,(H,27,29)(H,28,30)