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

Systemtic Name: ethyl (E)-4-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(2,5-dichlorophenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(2,5-dichloroanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(2,5-dichlorophenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(2,5-dichlorophenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C13H12Cl2N2O3S MolecularWeight: 347.21698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12Cl2N2O3S/c1-2-20-12(19)6-5-11(18)17-13(21)16-10-7-8(14)3-4-9(10)15/h3-7H,2H2,1H3,(H2,16,17,18,21)/b6-5+