ethyl 4-(2,3,4,5-tetrahydro-1-benzothiepin-8-ylcarbonylamino)benzoate

Systemtic Name: ethyl 4-(2,3,4,5-tetrahydro-1-benzothiepin-8-ylcarbonylamino)benzoate Openeye Name: ethyl 4-(2,3,4,5-tetrahydro-1-benzothiepine-8-carbonylamino)benzoate CAS Name: 4-[[oxo(2,3,4,5-tetrahydro-1-benzothiepin-8-yl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2,3,4,5-tetrahydro-1-benzothiepine-8-carbonylamino)benzoate Traditional Name: 4-(2,3,4,5-tetrahydro-1-benzothiepin-8-carbonylamino)benzoic acid ethyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(CCCCS3)C=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(CCCCS3)C=C2

InChI

InChI=1S/C20H21NO3S/c1-2-24-20(23)15-8-10-17(11-9-15)21-19(22)16-7-6-14-5-3-4-12-25-18(14)13-16/h6-11,13H,2-5,12H2,1H3,(H,21,22)