[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H11NO3S2 MolecularWeight: 329.39344

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC2=C(S1)C3=CC=CC=C3S2

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC2=C(S1)C3=CC=CC=C3S2

InChI

InChI=1S/C16H11NO3S2/c1-2-7-17-14(18)9-20-16(19)13-8-12-15(22-13)10-5-3-4-6-11(10)21-12/h1,3-6,8H,7,9H2,(H,17,18)