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

Systemtic Name: methyl 2-[(E)-anthracen-9-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H21NO2S MolecularWeight: 399.50474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO2S/c1-28-25(27)23-20-12-6-7-13-22(20)29-24(23)26-15-21-18-10-4-2-8-16(18)14-17-9-3-5-11-19(17)21/h2-5,8-11,14-15H,6-7,12-13H2,1H3/b26-15+