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

Systemtic Name: propan-2-yl (6R)-2-(heptanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl (6R)-2-(heptanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-(1-oxoheptylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6R)-2-(heptanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-(enanthylamino)-6-methyl-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:

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

Isomeric SMILES

CCCCCCC(=O)NC1=C(C2=C(S1)C[C@@H](CC2)C)C(=O)OC(C)C

InChI

InChI=1S/C20H31NO3S/c1-5-6-7-8-9-17(22)21-19-18(20(23)24-13(2)3)15-11-10-14(4)12-16(15)25-19/h13-14H,5-12H2,1-4H3,(H,21,22)/t14-/m1/s1