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

Systemtic Name: ethyl 2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)diazenyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)azo]-3-oxo-butanoate CAS Name: 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)azo]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)diazenyl]-3-oxobutanoate Traditional Name: 2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)azo]-3-keto-butyric acid ethyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4S/c1-3-22-15(21)12(8(2)19)17-18-14-11(13(16)20)9-6-4-5-7-10(9)23-14/h12H,3-7H2,1-2H3,(H2,16,20)