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

Systemtic Name: ethyl (E)-4-[[2,5-bis(chloranyl)-4-thiocyanato-phenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-(2,5-dichloro-4-thiocyanato-anilino)-4-oxo-but-2-enoate CAS Name: (E)-4-(2,5-dichloro-4-thiocyanatoanilino)-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(2,5-dichloro-4-thiocyanatoanilino)-4-oxobut-2-enoate Traditional Name: (E)-4-(2,5-dichloro-4-thiocyanato-anilino)-4-keto-but-2-enoic acid ethyl ester Formula: C13H10Cl2N2O3S MolecularWeight: 345.2011

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC1=CC(=C(C=C1Cl)SC#N)Cl

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC1=CC(=C(C=C1Cl)SC#N)Cl

InChI

InChI=1S/C13H10Cl2N2O3S/c1-2-20-13(19)4-3-12(18)17-10-5-9(15)11(21-7-16)6-8(10)14/h3-6H,2H2,1H3,(H,17,18)/b4-3+