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

Systemtic Name: methyl 3-(3-phenylprop-2-ynoylamino)-4,5-dihydrobenzo[e][2]benzothiole-1-carboxylate Openeye Name: methyl 3-(3-phenylprop-2-ynoylamino)-4,5-dihydrobenzo[e][2]benzothiole-1-carboxylate CAS Name: 3-[(1-oxo-3-phenylprop-2-ynyl)amino]-4,5-dihydrobenzo[e][2]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-phenylprop-2-ynoylamino)-4,5-dihydrobenzo[e][2]benzothiole-1-carboxylate Traditional Name: 3-[(3-phenylpropioloyl)amino]-4,5-dihydrobenz[g]isobenzothiophene-1-carboxylic acid methyl ester Formula: C23H17NO3S MolecularWeight: 387.45098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=C(S1)NC(=O)C#CC3=CC=CC=C3)CCC4=CC=CC=C42

Isomeric SMILES

COC(=O)C1=C2C(=C(S1)NC(=O)C#CC3=CC=CC=C3)CCC4=CC=CC=C42

InChI

InChI=1S/C23H17NO3S/c1-27-23(26)21-20-17-10-6-5-9-16(17)12-13-18(20)22(28-21)24-19(25)14-11-15-7-3-2-4-8-15/h2-10H,12-13H2,1H3,(H,24,25)