ethyl (E)-4-oxidanylidene-4-[(2,4,6-trimethylphenyl)carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[(2,4,6-trimethylphenyl)carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[(2,4,6-trimethylphenyl)carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[(2,4,6-trimethylphenyl)carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-(mesitylthiocarbamoylamino)but-2-enoic acid ethyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=C(C=C(C=C1C)C)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=C(C=C(C=C1C)C)C

InChI

InChI=1S/C16H20N2O3S/c1-5-21-14(20)7-6-13(19)17-16(22)18-15-11(3)8-10(2)9-12(15)4/h6-9H,5H2,1-4H3,(H2,17,18,19,22)/b7-6+