methyl 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-5-morpholino-benzoate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O4S2/c1-28-22(27)16-12-15(25-8-10-29-11-9-25)6-7-17(16)23-20(26)13-30-14-21-24-18-4-2-3-5-19(18)31-21/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)