5-(phenylmethoxycarbonylamino)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylic acid

Systemtic Name: 5-(phenylmethoxycarbonylamino)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylic acid Openeye Name: 5-(benzyloxycarbonylamino)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylic acid CAS Name: 5-(phenylmethoxycarbonylamino)-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxylic acid IUPAC Name: 5-(phenylmethoxycarbonylamino)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylic acid Traditional Name: 5-(benzyloxycarbonylamino)-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxylic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C=C(C=C2)C(=O)O)SC1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(C2=C(C=C(C=C2)C(=O)O)SC1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H19NO4S/c21-18(22)14-8-9-15-16(7-4-10-25-17(15)11-14)20-19(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10,12H2,(H,20,23)(H,21,22)