methyl 2-[(1-ethanoylpiperidin-4-yl)carbonylamino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 2-[(1-ethanoylpiperidin-4-yl)carbonylamino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-7-methoxy-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 2-[[(1-acetyl-4-piperidinyl)-oxomethyl]amino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 2-[(1-acetylisonipecotoyl)amino]-7-methoxy-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2=C(C3=C(S2)CCC4=C3C=CC(=C4)OC)C(=O)OC

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC2=C(C3=C(S2)CCC4=C3C=CC(=C4)OC)C(=O)OC

InChI

InChI=1S/C23H26N2O5S/c1-13(26)25-10-8-14(9-11-25)21(27)24-22-20(23(28)30-3)19-17-6-5-16(29-2)12-15(17)4-7-18(19)31-22/h5-6,12,14H,4,7-11H2,1-3H3,(H,24,27)