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7-cyclohexyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid

7-cyclohexyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid

Systemtic Name:7-cyclohexyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid
Openeye Name:7-cyclohexyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid
CAS Name:7-cyclohexyl-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid
IUPAC Name:7-cyclohexyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid
Traditional Name:7-cyclohexyl-5-keto-1,2-dihydro-3-benzothiepin-2-carboxylic acid
Formula: C17H20O3S
MolecularWeight: 304.4039
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(CC(SCC3=O)C(=O)O)C=C2


Isomeric SMILES

C1CCC(CC1)C2=CC3=C(CC(SCC3=O)C(=O)O)C=C2


InChI

InChI=1S/C17H20O3S/c18-15-10-21-16(17(19)20)9-13-7-6-12(8-14(13)15)11-4-2-1-3-5-11/h6-8,11,16H,1-5,9-10H2,(H,19,20)


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