methyl 4-methyl-2-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-methyl-2-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-methyl-2-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[(E)-3-(5-phenyl-2-furyl)acryloyl]thiocarbamoylamino]thiazole-5-carboxylic acid methyl ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H17N3O4S2/c1-12-17(18(25)26-2)29-20(21-12)23-19(28)22-16(24)11-9-14-8-10-15(27-14)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,21,22,23,24,28)/b11-9+