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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C

Isomeric SMILES

CCCCCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C

InChI

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