methyl 3-(1,3-benzodioxol-5-ylcarbonylamino)-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylcarbonylamino)-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-(1,3-benzodioxole-5-carbonylamino)-3-(2-thienyl)propanoate CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-(piperonyloylamino)-3-(2-thienyl)propionic acid methyl ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15NO5S/c1-20-15(18)8-11(14-3-2-6-23-14)17-16(19)10-4-5-12-13(7-10)22-9-21-12/h2-7,11H,8-9H2,1H3,(H,17,19)