ethyl (E)-4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(4-morpholinosulfonylphenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C17H21N3O6S2 MolecularWeight: 427.49514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H21N3O6S2/c1-2-26-16(22)8-7-15(21)19-17(27)18-13-3-5-14(6-4-13)28(23,24)20-9-11-25-12-10-20/h3-8H,2,9-12H2,1H3,(H2,18,19,21,27)/b8-7+