[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-methylthieno[2,3-b]indole-2-carboxylate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-methylthieno[2,3-b]indole-2-carboxylate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-methylthieno[2,3-b]indole-2-carboxylate CAS Name: 4-methyl-2-thieno[2,3-b]indolecarboxylic acid [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-methylthieno[2,3-b]indole-2-carboxylate Traditional Name: 4-methylthien[2,3-b]indole-2-carboxylic acid [(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(S3)N(C5=CC=CC=C54)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(S3)N(C5=CC=CC=C54)C

InChI

InChI=1S/C22H18N2O5S/c1-12(20(25)23-13-7-8-17-18(9-13)28-11-27-17)29-22(26)19-10-15-14-5-3-4-6-16(14)24(2)21(15)30-19/h3-10,12H,11H2,1-2H3,(H,23,25)/t12-/m0/s1