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

Systemtic Name: ethyl (E)-4-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-3-23-15(22)9-8-13(20)19-16(24)18-12-6-4-11(5-7-12)10-14(21)17-2/h4-9H,3,10H2,1-2H3,(H,17,21)(H2,18,19,20,24)/b9-8+