propan-2-yl 2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C

InChI

InChI=1S/C20H31NO3S/c1-5-7-10-14(6-2)18(22)21-19-17(20(23)24-13(3)4)15-11-8-9-12-16(15)25-19/h13-14H,5-12H2,1-4H3,(H,21,22)