methyl 7-[[5-(C-ethoxycarbonimidoyl)-1-benzothiophen-2-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[5-(C-ethoxycarbonimidoyl)-1-benzothiophen-2-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[5-(ethoxycarbonimidoyl)benzothiophene-2-carbonyl]amino]heptanoate CAS Name: 7-[[[5-[ethoxy(imino)methyl]-1-benzothiophen-2-yl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[5-(C-ethoxycarbonimidoyl)-1-benzothiophene-2-carbonyl]amino]heptanoate Traditional Name: 7-[[5-(ethoxycarbonimidoyl)benzothiophene-2-carbonyl]amino]enanthic acid methyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1=CC2=C(C=C1)SC(=C2)C(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CCOC(=N)C1=CC2=C(C=C1)SC(=C2)C(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C20H26N2O4S/c1-3-26-19(21)14-9-10-16-15(12-14)13-17(27-16)20(24)22-11-7-5-4-6-8-18(23)25-2/h9-10,12-13,21H,3-8,11H2,1-2H3,(H,22,24)