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5-oxidanylidene-9-propan-2-yl-1,2-dihydro-3-benzothiepine-2-carboxylic acid

5-oxidanylidene-9-propan-2-yl-1,2-dihydro-3-benzothiepine-2-carboxylic acid

Systemtic Name:5-oxidanylidene-9-propan-2-yl-1,2-dihydro-3-benzothiepine-2-carboxylic acid
Openeye Name:9-isopropyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid
CAS Name:5-oxo-9-propan-2-yl-1,2-dihydro-3-benzothiepin-2-carboxylic acid
IUPAC Name:5-oxo-9-propan-2-yl-1,2-dihydro-3-benzothiepine-2-carboxylic acid
Traditional Name:9-isopropyl-5-keto-1,2-dihydro-3-benzothiepin-2-carboxylic acid
Formula: C14H16O3S
MolecularWeight: 264.34004
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1CC(SCC2=O)C(=O)O


Isomeric SMILES

CC(C)C1=CC=CC2=C1CC(SCC2=O)C(=O)O


InChI

InChI=1S/C14H16O3S/c1-8(2)9-4-3-5-10-11(9)6-13(14(16)17)18-7-12(10)15/h3-5,8,13H,6-7H2,1-2H3,(H,16,17)


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