ethyl 2-[3-(butylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(butylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(butylamino)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(butylamino)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(butylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(butylamino)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CCCCNCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C18H28N2O3S/c1-3-5-11-19-12-10-15(21)20-17-16(18(22)23-4-2)13-8-6-7-9-14(13)24-17/h19H,3-12H2,1-2H3,(H,20,21)