ethyl 4-isothiocyanatoquinoline-3-carboxylate

Systemtic Name: ethyl 4-isothiocyanatoquinoline-3-carboxylate Openeye Name: ethyl 4-isothiocyanatoquinoline-3-carboxylate CAS Name: 4-isothiocyanato-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-isothiocyanatoquinoline-3-carboxylate Traditional Name: 4-isothiocyanatoquinoline-3-carboxylic acid ethyl ester Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1)N=C=S

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1)N=C=S

InChI

InChI=1S/C13H10N2O2S/c1-2-17-13(16)10-7-14-11-6-4-3-5-9(11)12(10)15-8-18/h3-7H,2H2,1H3