ethyl (E)-4-[[2-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[2-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[(2-methyl-3-propionamido-phenyl)thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C=CC(=O)OCC)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)/C=C/C(=O)OCC)C

InChI

InChI=1S/C17H21N3O4S/c1-4-14(21)18-12-7-6-8-13(11(12)3)19-17(25)20-15(22)9-10-16(23)24-5-2/h6-10H,4-5H2,1-3H3,(H,18,21)(H2,19,20,22,25)/b10-9+