ethyl 2-(anthracen-9-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(anthracen-9-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(anthracene-9-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[9-anthracenyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(anthracene-9-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(anthracene-9-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H23NO3S MolecularWeight: 429.53072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C26H23NO3S/c1-2-30-26(29)23-20-13-7-8-14-21(20)31-25(23)27-24(28)22-18-11-5-3-9-16(18)15-17-10-4-6-12-19(17)22/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,27,28)