dimethyl 5-azanyl-3-[[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanylbenzoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]phenyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]benzoyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H22N2O7S2 MolecularWeight: 478.53858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC=CC=C2SCC(=O)NC3CC3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC=CC=C2SCC(=O)NC3CC3)C(=O)OC)N

InChI

InChI=1S/C21H22N2O7S2/c1-28-20(26)16-13(17(21(27)29-2)32-18(16)22)9-30-19(25)12-5-3-4-6-14(12)31-10-15(24)23-11-7-8-11/h3-6,11H,7-10,22H2,1-2H3,(H,23,24)