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

Systemtic Name: ethyl (E)-4-[[3-(tert-butylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[3-(tert-butylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[3-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[3-(tert-butylcarbamoyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[3-(tert-butylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-5-25-15(23)10-9-14(22)20-17(26)19-13-8-6-7-12(11-13)16(24)21-18(2,3)4/h6-11H,5H2,1-4H3,(H,21,24)(H2,19,20,22,26)/b10-9+