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

Systemtic Name: dimethyl 5-azanyl-3-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[4-(1,3-benzothiazol-2-yl)-1-oxobutoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCCC2=NC3=CC=CC=C3S2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCCC2=NC3=CC=CC=C3S2)C(=O)OC)N

InChI

InChI=1S/C20H20N2O6S2/c1-26-19(24)16-11(17(20(25)27-2)30-18(16)21)10-28-15(23)9-5-8-14-22-12-6-3-4-7-13(12)29-14/h3-4,6-7H,5,8-10,21H2,1-2H3