propyl 4-[2-oxidanylidene-2-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]hydrazinyl]ethoxy]benzoate

Systemtic Name: propyl 4-[2-oxidanylidene-2-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]hydrazinyl]ethoxy]benzoate Openeye Name: propyl 4-[2-oxo-2-[2-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioyl]hydrazino]ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-oxo-2-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]hydrazinyl]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[N'-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoyl]hydrazino]ethoxy]benzoic acid propyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C20H21N3O5S2/c1-2-11-27-19(26)14-5-7-15(8-6-14)28-13-18(25)22-23-20(29)21-17(24)10-9-16-4-3-12-30-16/h3-10,12H,2,11,13H2,1H3,(H,22,25)(H2,21,23,24,29)/b10-9+