ethyl (E)-4-oxidanylidene-4-[[(2-propoxyphenyl)carbonylamino]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[(2-propoxyphenyl)carbonylamino]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[(2-propoxybenzoyl)amino]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[(2-propoxybenzoyl)amino]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[(2-propoxybenzoyl)amino]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C17H21N3O5S/c1-3-11-25-13-8-6-5-7-12(13)16(23)19-20-17(26)18-14(21)9-10-15(22)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,23)(H2,18,20,21,26)/b10-9+