[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenecarboxylic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=C(S2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=C(S2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H19NO5S/c1-14(21(24)23-16-5-3-2-4-6-16)28-22(25)20-10-9-19(29-20)15-7-8-17-18(13-15)27-12-11-26-17/h2-10,13-14H,11-12H2,1H3,(H,23,24)/t14-/m0/s1