[(1Z)-1-[1-oxidanyl-2-oxidanylidene-6-(thiophen-2-ylcarbonylamino)indol-3-ylidene]propyl] 2,2-dimethylpropanoate

Systemtic Name: [(1Z)-1-[1-oxidanyl-2-oxidanylidene-6-(thiophen-2-ylcarbonylamino)indol-3-ylidene]propyl] 2,2-dimethylpropanoate Openeye Name: [(1Z)-1-[1-hydroxy-2-oxo-6-(thiophene-2-carbonylamino)indolin-3-ylidene]propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1Z)-1-[1-hydroxy-2-oxo-6-[[oxo(thiophen-2-yl)methyl]amino]-3-indolylidene]propyl] ester IUPAC Name: [(1Z)-1-[1-hydroxy-2-oxo-6-(thiophene-2-carbonylamino)indol-3-ylidene]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1Z)-1-[1-hydroxy-2-keto-6-(2-thenoylamino)indolin-3-ylidene]propyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)N(C1=O)O)OC(=O)C(C)(C)C

Isomeric SMILES

CC/C(=C/1\C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)N(C1=O)O)/OC(=O)C(C)(C)C

InChI

InChI=1S/C21H22N2O5S/c1-5-15(28-20(26)21(2,3)4)17-13-9-8-12(11-14(13)23(27)19(17)25)22-18(24)16-7-6-10-29-16/h6-11,27H,5H2,1-4H3,(H,22,24)/b17-15-