[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H17NO3S2 MolecularWeight: 347.45178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC2=C(S1)C3=CC=CC=C3S2

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC2=C(S1)C3=CC=CC=C3S2

InChI

InChI=1S/C17H17NO3S2/c1-3-8-18-16(19)10(2)21-17(20)14-9-13-15(23-14)11-6-4-5-7-12(11)22-13/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)/t10-/m0/s1