ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioyl-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[[(E)-3-(2-furyl)acryloyl]thiocarbamoyl-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C23H21N3O4S/c1-2-29-22(28)18-7-9-19(10-8-18)26(16-17-5-3-13-24-15-17)23(31)25-21(27)12-11-20-6-4-14-30-20/h3-15H,2,16H2,1H3,(H,25,27,31)/b12-11+