methyl 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C16H15NO5S MolecularWeight: 333.359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

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