ethyl 4-methyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[(E)-3-phenylacryloyl]thiocarbamoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C=CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C17H17N3O3S2/c1-3-23-15(22)14-11(2)18-17(25-14)20-16(24)19-13(21)10-9-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H2,18,19,20,21,24)/b10-9+