[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 4-methylthieno[2,3-b]indole-2-carboxylate

Systemtic Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 4-methylthieno[2,3-b]indole-2-carboxylate Openeye Name: [2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 4-methylthieno[2,3-b]indole-2-carboxylate CAS Name: 4-methyl-2-thieno[2,3-b]indolecarboxylic acid [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-methylthieno[2,3-b]indole-2-carboxylate Traditional Name: 4-methylthien[2,3-b]indole-2-carboxylic acid [2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=CC2=C(S1)N(C3=CC=CC=C32)C

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)COC(=O)C1=CC2=C(S1)N(C3=CC=CC=C32)C

InChI

InChI=1S/C19H22N2O3S/c1-11(2)12(3)20-17(22)10-24-19(23)16-9-14-13-7-5-6-8-15(13)21(4)18(14)25-16/h5-9,11-12H,10H2,1-4H3,(H,20,22)/t12-/m0/s1