[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H21N3O4S/c1-23(2)15-9-7-14(8-10-15)11-21-18(24)12-26-19(25)13-28-20-22-16-5-3-4-6-17(16)27-20/h3-10H,11-13H2,1-2H3,(H,21,24)