methyl 2-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 2-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 2-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 2-[[[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 2-[[(E)-3-(5-phenyl-2-furyl)acryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O4S/c1-27-21(26)17-9-5-6-10-18(17)23-22(29)24-20(25)14-12-16-11-13-19(28-16)15-7-3-2-4-8-15/h2-14H,1H3,(H2,23,24,25,29)/b14-12+