[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(S1)C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CC(=O)NCCC1=CC=C(S1)C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C25H21NO4S/c1-16(27)26-13-12-19-10-11-23(31-19)22(28)15-30-25(29)24-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)24/h2-11,14H,12-13,15H2,1H3,(H,26,27)