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

Systemtic Name: propan-2-yl 6-methyl-2-(octanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 6-methyl-2-(octanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-(1-oxooctylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-methyl-2-(octanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(caprylylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO3S/c1-5-6-7-8-9-10-18(23)22-20-19(21(24)25-14(2)3)16-12-11-15(4)13-17(16)26-20/h14-15H,5-13H2,1-4H3,(H,22,23)