ethyl 2-[(E)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-prop-2-enoyloxy-methyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(E)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-prop-2-enoyloxy-methyl]thiophene-3-carboxylate Openeye Name: ethyl 2-[(E)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-indolin-3-ylidene)-prop-2-enoyloxy-methyl]thiophene-3-carboxylate CAS Name: 2-[(E)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-3-indolylidene)-(1-oxoprop-2-enoxy)methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-(1-carbamoyl-6-chloro-5-fluoro-2-oxoindol-3-ylidene)-prop-2-enoyloxymethyl]thiophene-3-carboxylate Traditional Name: 2-[(E)-acryloyloxy-(1-carbamoyl-6-chloro-5-fluoro-2-keto-indolin-3-ylidene)methyl]thiophene-3-carboxylic acid ethyl ester Formula: C20H14ClFN2O6S MolecularWeight: 464.851363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)C(=C2C3=CC(=C(C=C3N(C2=O)C(=O)N)Cl)F)OC(=O)C=C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)/C(=C\2/C3=CC(=C(C=C3N(C2=O)C(=O)N)Cl)F)/OC(=O)C=C

InChI

InChI=1S/C20H14ClFN2O6S/c1-3-14(25)30-16(17-9(5-6-31-17)19(27)29-4-2)15-10-7-12(22)11(21)8-13(10)24(18(15)26)20(23)28/h3,5-8H,1,4H2,2H3,(H2,23,28)/b16-15+