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

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O5S/c25-19(22-15-5-7-16(8-6-15)24-9-11-27-12-10-24)13-28-20(26)14-30-21-23-17-3-1-2-4-18(17)29-21/h1-8H,9-14H2,(H,22,25)