dimethyl 5-azanyl-3-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[3-(1,3-benzothiazol-2-yl)-1-oxopropoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H18N2O6S2 MolecularWeight: 434.48602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCC2=NC3=CC=CC=C3S2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCC2=NC3=CC=CC=C3S2)C(=O)OC)N

InChI

InChI=1S/C19H18N2O6S2/c1-25-18(23)15-10(16(19(24)26-2)29-17(15)20)9-27-14(22)8-7-13-21-11-5-3-4-6-12(11)28-13/h3-6H,7-9,20H2,1-2H3