ethyl 2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)diazenyl]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)diazenyl]-2-cyano-ethanoate Openeye Name: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)azo]-2-cyano-acetate CAS Name: 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)azo]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)diazenyl]-2-cyanoacetate Traditional Name: 2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)azo]-2-cyano-acetic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)N=NC1=C(C2=C(S1)CCCC2)C(=O)N

Isomeric SMILES

CCOC(=O)C(C#N)N=NC1=C(C2=C(S1)CCCC2)C(=O)N

InChI

InChI=1S/C14H16N4O3S/c1-2-21-14(20)9(7-15)17-18-13-11(12(16)19)8-5-3-4-6-10(8)22-13/h9H,2-6H2,1H3,(H2,16,19)