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3-cyano-4-oxidanylidene-2-(phenylmethylsulfanyl)quinolizine-1-carboxylic acid

3-cyano-4-oxidanylidene-2-(phenylmethylsulfanyl)quinolizine-1-carboxylic acid

Systemtic Name:3-cyano-4-oxidanylidene-2-(phenylmethylsulfanyl)quinolizine-1-carboxylic acid
Openeye Name:2-benzylsulfanyl-3-cyano-4-oxo-quinolizine-1-carboxylic acid
CAS Name:3-cyano-4-oxo-2-(phenylmethylthio)-1-quinolizinecarboxylic acid
IUPAC Name:2-benzylsulfanyl-3-cyano-4-oxoquinolizine-1-carboxylic acid
Traditional Name:2-(benzylthio)-3-cyano-4-keto-quinolizine-1-carboxylic acid
Formula: C18H12N2O3S
MolecularWeight: 336.36448
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)N3C=CC=CC3=C2C(=O)O)C#N


Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)N3C=CC=CC3=C2C(=O)O)C#N


InChI

InChI=1S/C18H12N2O3S/c19-10-13-16(24-11-12-6-2-1-3-7-12)15(18(22)23)14-8-4-5-9-20(14)17(13)21/h1-9H,11H2,(H,22,23)


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