methyl 3-[[2-[1,3-benzodioxol-5-ylmethyl(2-hydroxyethyl)amino]-2-oxidanylidene-ethanoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[1,3-benzodioxol-5-ylmethyl(2-hydroxyethyl)amino]-2-oxidanylidene-ethanoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[1,3-benzodioxol-5-ylmethyl(2-hydroxyethyl)amino]-2-oxo-acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[1,3-benzodioxol-5-ylmethyl(2-hydroxyethyl)amino]-1,2-dioxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[1,3-benzodioxol-5-ylmethyl(2-hydroxyethyl)amino]-2-oxoacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[2-hydroxyethyl(piperonyl)amino]-2-keto-acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C(=O)N(CCO)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C(=O)N(CCO)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18N2O7S/c1-25-18(24)15-12(4-7-28-15)19-16(22)17(23)20(5-6-21)9-11-2-3-13-14(8-11)27-10-26-13/h2-4,7-8,21H,5-6,9-10H2,1H3,(H,19,22)