[2-azanylidene-2-(1-benzothiophen-3-yl)ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-azanylidene-2-(1-benzothiophen-3-yl)ethyl] 4-tert-butylbenzoate Openeye Name: [2-(benzothiophen-3-yl)-2-imino-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(1-benzothiophen-3-yl)-2-iminoethyl] ester IUPAC Name: [2-(1-benzothiophen-3-yl)-2-iminoethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(benzothiophen-3-yl)-2-imino-ethyl] ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=N)C2=CSC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=N)C2=CSC3=CC=CC=C32

InChI

InChI=1S/C21H21NO2S/c1-21(2,3)15-10-8-14(9-11-15)20(23)24-12-18(22)17-13-25-19-7-5-4-6-16(17)19/h4-11,13,22H,12H2,1-3H3