[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)OCC(=O)NCC#C

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C19H17NO4S/c1-3-8-20-17(21)11-24-19(22)16-10-13-5-4-12-9-14(23-2)6-7-15(12)18(13)25-16/h1,6-7,9-10H,4-5,8,11H2,2H3,(H,20,21)