methyl 6-ethyl-2-(heptanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-ethyl-2-(heptanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-ethyl-2-(heptanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-(1-oxoheptylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-ethyl-2-(heptanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(enanthylamino)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H29NO3S MolecularWeight: 351.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)CC)C(=O)OC

Isomeric SMILES

CCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)CC)C(=O)OC

InChI

InChI=1S/C19H29NO3S/c1-4-6-7-8-9-16(21)20-18-17(19(22)23-3)14-11-10-13(5-2)12-15(14)24-18/h13H,4-12H2,1-3H3,(H,20,21)