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methyl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate

methyl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name:methyl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate
Openeye Name:methyl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxo-butanoate
CAS Name:4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-3-oxobutanoic acid methyl ester
IUPAC Name:methyl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
Traditional Name:4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-3-keto-butyric acid methyl ester
Formula: C16H18N2O3S
MolecularWeight: 318.39072
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSC1=NC2=C(CCCCC2)C=C1C#N


Isomeric SMILES

COC(=O)CC(=O)CSC1=NC2=C(CCCCC2)C=C1C#N


InChI

InChI=1S/C16H18N2O3S/c1-21-15(20)8-13(19)10-22-16-12(9-17)7-11-5-3-2-4-6-14(11)18-16/h7H,2-6,8,10H2,1H3


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