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

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H15NO3S2 MolecularWeight: 345.4359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO3S2/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/h3-7,9-10H,1,8H2,2H3,(H,18,19)/t10-/m0/s1