ethyl 2-[(E)-anthracen-9-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(E)-anthracen-9-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(E)-9-anthrylmethyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(E)-9-anthracenylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-anthracen-9-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(E)-9-anthrylmethyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H23NO2S MolecularWeight: 413.53132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO2S/c1-2-29-26(28)24-21-13-7-8-14-23(21)30-25(24)27-16-22-19-11-5-3-9-17(19)15-18-10-4-6-12-20(18)22/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3/b27-16+