dimethyl 5-azanyl-3-(3-phenylsulfanylpropanoyloxymethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-(3-phenylsulfanylpropanoyloxymethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-(3-phenylsulfanylpropanoyloxymethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1-oxo-3-(phenylthio)propoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-(3-phenylsulfanylpropanoyloxymethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-(phenylthio)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H19NO6S2 MolecularWeight: 409.47656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCSC2=CC=CC=C2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCSC2=CC=CC=C2)C(=O)OC)N

InChI

InChI=1S/C18H19NO6S2/c1-23-17(21)14-12(15(18(22)24-2)27-16(14)19)10-25-13(20)8-9-26-11-6-4-3-5-7-11/h3-7H,8-10,19H2,1-2H3