ethyl (E)-4-oxidanylidene-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCC2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCC2

InChI

InChI=1S/C18H21N3O4S/c1-2-25-16(23)10-9-15(22)20-18(26)19-14-7-5-13(6-8-14)17(24)21-11-3-4-12-21/h5-10H,2-4,11-12H2,1H3,(H2,19,20,22,26)/b10-9+