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

Systemtic Name: ethyl (E)-4-[[3-(2-methylpropoxy)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(3-isobutoxyphenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[3-(2-methylpropoxy)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(3-isobutoxyphenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-4-22-16(21)9-8-15(20)19-17(24)18-13-6-5-7-14(10-13)23-11-12(2)3/h5-10,12H,4,11H2,1-3H3,(H2,18,19,20,24)/b9-8+