ethyl 2-[(3E)-2-oxidanylidene-3-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[(3E)-2-oxidanylidene-3-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]indol-1-yl]ethanoate Openeye Name: ethyl 2-[(3E)-2-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylhydrazono]indolin-1-yl]acetate CAS Name: 2-[(3E)-2-oxo-3-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]hydrazinylidene]-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3E)-2-oxo-3-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]indol-1-yl]acetate Traditional Name: 2-[(3E)-2-keto-3-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylhydrazono]indolin-1-yl]acetic acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C(=NNC(=S)NCC3CCCO3)C1=O

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2/C(=N\NC(=S)NC[C@H]3CCCO3)/C1=O

InChI

InChI=1S/C18H22N4O4S/c1-2-25-15(23)11-22-14-8-4-3-7-13(14)16(17(22)24)20-21-18(27)19-10-12-6-5-9-26-12/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,19,21,27)/b20-16+/t12-/m1/s1