3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]-2-methyl-benzoic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=CC=CO2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)/C=C/C2=CC=CO2)C(=O)O

InChI

InChI=1S/C16H14N2O4S/c1-10-12(15(20)21)5-2-6-13(10)17-16(23)18-14(19)8-7-11-4-3-9-22-11/h2-9H,1H3,(H,20,21)(H2,17,18,19,23)/b8-7+