propyl 4-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: propyl 4-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]carbamothioylamino]benzoate Openeye Name: propyl 4-[[(E)-4-ethoxy-4-oxo-but-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[(E)-4-ethoxy-4-oxobut-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-4-ethoxy-4-keto-but-2-enoyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S/c1-3-11-24-16(22)12-5-7-13(8-6-12)18-17(25)19-14(20)9-10-15(21)23-4-2/h5-10H,3-4,11H2,1-2H3,(H2,18,19,20,25)/b10-9+