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1-ethyl-3-oxidanylidene-6,7-dihydro-4H-[3]benzothiepino[4,5-b]pyridine-2-carboxylic acid

1-ethyl-3-oxidanylidene-6,7-dihydro-4H-[3]benzothiepino[4,5-b]pyridine-2-carboxylic acid

Systemtic Name:1-ethyl-3-oxidanylidene-6,7-dihydro-4H-[3]benzothiepino[4,5-b]pyridine-2-carboxylic acid
Openeye Name:1-ethyl-3-oxo-6,7-dihydro-4H-[3]benzothiepino[4,5-b]pyridine-2-carboxylic acid
CAS Name:1-ethyl-3-oxo-6,7-dihydro-4H-[3]benzothiepino[4,5-b]pyridine-2-carboxylic acid
IUPAC Name:1-ethyl-3-oxo-6,7-dihydro-4H-[3]benzothiepino[4,5-b]pyridine-2-carboxylic acid
Traditional Name:1-ethyl-3-keto-6,7-dihydro-4H-[3]benzothiepino[4,5-b]pyridine-2-carboxylic acid
Formula: C16H15NO3S
MolecularWeight: 301.3602
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)NC2=C1C3=CC=CC=C3CCS2)C(=O)O


Isomeric SMILES

CCC1=C(C(=O)NC2=C1C3=CC=CC=C3CCS2)C(=O)O


InChI

InChI=1S/C16H15NO3S/c1-2-10-12-11-6-4-3-5-9(11)7-8-21-15(12)17-14(18)13(10)16(19)20/h3-6H,2,7-8H2,1H3,(H,17,18)(H,19,20)


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