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

Systemtic Name: 4-phenylbutyl 2-[(Z)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-prop-2-enoyloxy-methyl]thiophene-3-carboxylate Openeye Name: 4-phenylbutyl 2-[(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-indolin-3-ylidene)-prop-2-enoyloxy-methyl]thiophene-3-carboxylate CAS Name: 2-[(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-3-indolylidene)-(1-oxoprop-2-enoxy)methyl]-3-thiophenecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 2-[(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxoindol-3-ylidene)-prop-2-enoyloxymethyl]thiophene-3-carboxylate Traditional Name: 2-[(Z)-acryloyloxy-(1-carbamoyl-6-chloro-5-fluoro-2-keto-indolin-3-ylidene)methyl]thiophene-3-carboxylic acid 4-phenylbutyl ester Formula: C28H22ClFN2O6S MolecularWeight: 569.000483

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OC(=C1C2=CC(=C(C=C2N(C1=O)C(=O)N)Cl)F)C3=C(C=CS3)C(=O)OCCCCC4=CC=CC=C4

Isomeric SMILES

C=CC(=O)O/C(=C\1/C2=CC(=C(C=C2N(C1=O)C(=O)N)Cl)F)/C3=C(C=CS3)C(=O)OCCCCC4=CC=CC=C4

InChI

InChI=1S/C28H22ClFN2O6S/c1-2-22(33)38-24(23-18-14-20(30)19(29)15-21(18)32(26(23)34)28(31)36)25-17(11-13-39-25)27(35)37-12-7-6-10-16-8-4-3-5-9-16/h2-5,8-9,11,13-15H,1,6-7,10,12H2,(H2,31,36)/b24-23-