ethyl 2-[2,4-bis(chloranyl)-5-nitro-phenyl]carbonyl-3-phenylazanyl-3-sulfanyl-prop-2-enoate

Systemtic Name: ethyl 2-[2,4-bis(chloranyl)-5-nitro-phenyl]carbonyl-3-phenylazanyl-3-sulfanyl-prop-2-enoate Openeye Name: ethyl 3-anilino-2-(2,4-dichloro-5-nitro-benzoyl)-3-sulfanyl-prop-2-enoate CAS Name: 3-anilino-2-[(2,4-dichloro-5-nitrophenyl)-oxomethyl]-3-mercapto-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-anilino-2-(2,4-dichloro-5-nitrobenzoyl)-3-sulfanylprop-2-enoate Traditional Name: 3-anilino-2-(2,4-dichloro-5-nitro-benzoyl)-3-mercapto-acrylic acid ethyl ester Formula: C18H14Cl2N2O5S MolecularWeight: 441.28516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=CC=C1)S)C(=O)C2=CC(=C(C=C2Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=C(NC1=CC=CC=C1)S)C(=O)C2=CC(=C(C=C2Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14Cl2N2O5S/c1-2-27-18(24)15(17(28)21-10-6-4-3-5-7-10)16(23)11-8-14(22(25)26)13(20)9-12(11)19/h3-9,21,28H,2H2,1H3