[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O4S/c26-20(23-16-5-7-17(8-6-16)25-11-13-28-14-12-25)15-29-22(27)10-9-21-24-18-3-1-2-4-19(18)30-21/h1-8H,9-15H2,(H,23,26)