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

Systemtic Name: octyl 2-[(E)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-prop-2-enoyloxy-methyl]thiophene-3-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C26H26ClFN2O6S MolecularWeight: 549.010843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCOC(=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/C26H26ClFN2O6S/c1-3-5-6-7-8-9-11-35-25(33)15-10-12-37-23(15)22(36-20(31)4-2)21-16-13-18(28)17(27)14-19(16)30(24(21)32)26(29)34/h4,10,12-14H,2-3,5-9,11H2,1H3,(H2,29,34)/b22-21+