(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O4S2/c1-15(20(25)24-10-12-27-13-11-24)28-21(26)17-8-6-16(7-9-17)14-29-22-23-18-4-2-3-5-19(18)30-22/h2-9,15H,10-14H2,1H3