methyl 2-acetamido-4-[[2-(2-acetyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-acetamido-4-[[2-(2-acetyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 2-acetamido-4-[[2-(2-acetoxyethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-4-oxo-butanoate CAS Name: 2-acetamido-4-[[2-(2-acetyloxyethylthio)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-acetamido-4-[[2-(2-acetyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoate Traditional Name: 2-acetamido-4-[[2-(2-acetoxyethylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid methyl ester Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCOC(=O)C)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCOC(=O)C)C(=O)OC

InChI

InChI=1S/C18H21N3O6S2/c1-10(22)19-14(17(25)26-3)9-16(24)20-12-4-5-13-15(8-12)29-18(21-13)28-7-6-27-11(2)23/h4-5,8,14H,6-7,9H2,1-3H3,(H,19,22)(H,20,24)