methyl 4-[(E)-3-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(2-chloro-5-methylsulfonyl-anilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(2-chloro-5-methylsulfonylanilino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(2-chloro-5-methylsulfonylanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(2-chloro-5-mesyl-anilino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H16ClNO5S/c1-25-18(22)13-6-3-12(4-7-13)5-10-17(21)20-16-11-14(26(2,23)24)8-9-15(16)19/h3-11H,1-2H3,(H,20,21)/b10-5+