methyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(5-ethyl-2-furyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(5-ethyl-2-furanyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(5-ethyl-2-furyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CCC1=CC=C(O1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C19H23NO4S/c1-3-12-8-9-13(24-12)10-11-16(21)20-18-17(19(22)23-2)14-6-4-5-7-15(14)25-18/h8-9H,3-7,10-11H2,1-2H3,(H,20,21)