(1-carbazol-9-yl-1-oxidanylidene-butan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (1-carbazol-9-yl-1-oxidanylidene-butan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-(carbazole-9-carbonyl)propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(9-carbazolyl)-1-oxobutan-2-yl] ester IUPAC Name: (1-carbazol-9-yl-1-oxobutan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-(carbazole-9-carbonyl)propyl ester Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)OC(=O)C4=CC5=C(S4)CCCC5

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)OC(=O)C4=CC5=C(S4)CCCC5

InChI

InChI=1S/C25H23NO3S/c1-2-21(29-25(28)23-15-16-9-3-8-14-22(16)30-23)24(27)26-19-12-6-4-10-17(19)18-11-5-7-13-20(18)26/h4-7,10-13,15,21H,2-3,8-9,14H2,1H3