methyl 2-(2-phenoxypropanoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 2-(2-phenoxypropanoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 2-(2-phenoxypropanoylamino)-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 2-[(1-oxo-2-phenoxypropyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-phenoxypropanoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 2-(2-phenoxypropanoylamino)-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCC3=CC=CC=C32)C(=O)OC)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCC3=CC=CC=C32)C(=O)OC)OC4=CC=CC=C4

InChI

InChI=1S/C23H21NO4S/c1-14(28-16-9-4-3-5-10-16)21(25)24-22-20(23(26)27-2)19-17-11-7-6-8-15(17)12-13-18(19)29-22/h3-11,14H,12-13H2,1-2H3,(H,24,25)