ethyl (E)-4-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(5-chloro-2-hydroxy-phenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(5-chloro-2-hydroxyanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(5-chloro-2-hydroxyphenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(5-chloro-2-hydroxy-phenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O4S/c1-2-20-12(19)6-5-11(18)16-13(21)15-9-7-8(14)3-4-10(9)17/h3-7,17H,2H2,1H3,(H2,15,16,18,21)/b6-5+