ethyl 2-[(2-azanylnaphthalen-1-yl)diazenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-azanylnaphthalen-1-yl)diazenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-amino-1-naphthyl)azo]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-amino-1-naphthalenyl)azo]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-aminonaphthalen-1-yl)diazenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-amino-1-naphthyl)azo]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N=NC3=C(C=CC4=CC=CC=C43)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N=NC3=C(C=CC4=CC=CC=C43)N

InChI

InChI=1S/C21H21N3O2S/c1-2-26-21(25)18-15-9-5-6-10-17(15)27-20(18)24-23-19-14-8-4-3-7-13(14)11-12-16(19)22/h3-4,7-8,11-12H,2,5-6,9-10,22H2,1H3