[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S2/c1-8(2)13(15(20)19-17(18)22)23-16(21)12-7-11-14(25-12)9-5-3-4-6-10(9)24-11/h3-8,13H,1-2H3,(H3,18,19,20,22)/t13-/m0/s1