[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4S/c25-19(22-15-7-9-16(10-8-15)24-11-3-4-12-24)13-27-20(26)14-29-21-23-17-5-1-2-6-18(17)28-21/h1-2,5-10H,3-4,11-14H2,(H,22,25)