methyl 2-(1,3-benzothiazol-6-ylcarbonylamino)-3-oxidanyl-propanoate

Systemtic Name: methyl 2-(1,3-benzothiazol-6-ylcarbonylamino)-3-oxidanyl-propanoate Openeye Name: methyl 2-(1,3-benzothiazole-6-carbonylamino)-3-hydroxy-propanoate CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazole-6-carbonylamino)-3-hydroxypropanoate Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-3-hydroxy-propionic acid methyl ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC2=C(C=C1)N=CS2

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C12H12N2O4S/c1-18-12(17)9(5-15)14-11(16)7-2-3-8-10(4-7)19-6-13-8/h2-4,6,9,15H,5H2,1H3,(H,14,16)