3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C=CC2=CC=CO2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C16H14N2O5S/c1-22-13-6-4-10(15(20)21)9-12(13)17-16(24)18-14(19)7-5-11-3-2-8-23-11/h2-9H,1H3,(H,20,21)(H2,17,18,19,24)/b7-5+