methyl 3-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O6S/c1-26-19(24)9-14(17-3-2-6-29-17)21-20(25)12-7-18(23)22(10-12)13-4-5-15-16(8-13)28-11-27-15/h2-6,8,12,14H,7,9-11H2,1H3,(H,21,25)