[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NC(C)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)N[C@@H](C)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21NO5S/c1-13-16-5-3-4-6-19(16)29-21(13)22(25)28-12-20(24)23-14(2)15-7-8-17-18(11-15)27-10-9-26-17/h3-8,11,14H,9-10,12H2,1-2H3,(H,23,24)/t14-/m0/s1