ethyl (E)-4-oxidanylidene-4-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-[[2-(isopropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[[[2-[oxo-(propan-2-ylamino)methyl]anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-[[2-(isopropylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-4-24-15(22)10-9-14(21)20-17(25)19-13-8-6-5-7-12(13)16(23)18-11(2)3/h5-11H,4H2,1-3H3,(H,18,23)(H2,19,20,21,25)/b10-9+