O1-[(Z)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-thiophen-2-yl-methyl] O3-(phenylmethyl) 2-methoxypropanedioate

Systemtic Name: O1-[(Z)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-thiophen-2-yl-methyl] O3-(phenylmethyl) 2-methoxypropanedioate Openeye Name: O1-benzyl O3-[(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-indolin-3-ylidene)-(2-thienyl)methyl] 2-methoxypropanedioate CAS Name: 2-methoxypropanedioic acid O1-[(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-3-indolylidene)-thiophen-2-ylmethyl] ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-[(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxoindol-3-ylidene)-thiophen-2-ylmethyl] 2-methoxypropanedioate Traditional Name: 2-methoxymalonic acid O1-benzyl ester O3-[(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-keto-indolin-3-ylidene)-(2-thienyl)methyl] ester Formula: C25H18ClFN2O7S MolecularWeight: 544.936023

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)OCC1=CC=CC=C1)C(=O)OC(=C2C3=CC(=C(C=C3N(C2=O)C(=O)N)Cl)F)C4=CC=CS4

Isomeric SMILES

COC(C(=O)OCC1=CC=CC=C1)C(=O)O/C(=C\2/C3=CC(=C(C=C3N(C2=O)C(=O)N)Cl)F)/C4=CC=CS4

InChI

InChI=1S/C25H18ClFN2O7S/c1-34-21(23(31)35-12-13-6-3-2-4-7-13)24(32)36-20(18-8-5-9-37-18)19-14-10-16(27)15(26)11-17(14)29(22(19)30)25(28)33/h2-11,21H,12H2,1H3,(H2,28,33)/b20-19-