[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C30H33NO4S MolecularWeight: 503.65232

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5)C)C

InChI

InChI=1S/C30H33NO4S/c1-30(2)24-14-8-9-15-25(24)31(3)27(30)17-20(32)18-34-29(33)28-23(19-36-21-11-5-4-6-12-21)22-13-7-10-16-26(22)35-28/h7-10,13-17,21H,4-6,11-12,18-19H2,1-3H3