methyl 7-methoxy-2-(3-phenylprop-2-ynoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 7-methoxy-2-(3-phenylprop-2-ynoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 7-methoxy-2-(3-phenylprop-2-ynoylamino)-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 7-methoxy-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-2-(3-phenylprop-2-ynoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 7-methoxy-2-[(3-phenylpropioloyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C24H19NO4S MolecularWeight: 417.47696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)C#CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C24H19NO4S/c1-28-17-10-11-18-16(14-17)9-12-19-21(18)22(24(27)29-2)23(30-19)25-20(26)13-8-15-6-4-3-5-7-15/h3-7,10-11,14H,9,12H2,1-2H3,(H,25,26)