dimethyl 5-azanyl-3-(1,3-benzothiazol-6-ylcarbonyloxymethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-(1,3-benzothiazol-6-ylcarbonyloxymethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-(1,3-benzothiazole-6-carbonyloxymethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1,3-benzothiazol-6-yl(oxo)methoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-(1,3-benzothiazole-6-carbonyloxymethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-(1,3-benzothiazole-6-carbonyloxymethyl)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H14N2O6S2 MolecularWeight: 406.43286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC3=C(C=C2)N=CS3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC3=C(C=C2)N=CS3)C(=O)OC)N

InChI

InChI=1S/C17H14N2O6S2/c1-23-16(21)12-9(13(17(22)24-2)27-14(12)18)6-25-15(20)8-3-4-10-11(5-8)26-7-19-10/h3-5,7H,6,18H2,1-2H3