ethyl 2-(2-phenylazanylethanethioylamino)-5,6,7,8-tetrahydroquinoline-4-carboxylate

Systemtic Name: ethyl 2-(2-phenylazanylethanethioylamino)-5,6,7,8-tetrahydroquinoline-4-carboxylate Openeye Name: ethyl 2-[(2-anilinoethanethioyl)amino]-5,6,7,8-tetrahydroquinoline-4-carboxylate CAS Name: 2-[(2-anilino-1-sulfanylideneethyl)amino]-5,6,7,8-tetrahydroquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-anilinoethanethioyl)amino]-5,6,7,8-tetrahydroquinoline-4-carboxylate Traditional Name: 2-[(2-anilinothioacetyl)amino]-5,6,7,8-tetrahydroquinoline-4-carboxylic acid ethyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1CCCC2)NC(=S)CNC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1CCCC2)NC(=S)CNC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-2-25-20(24)16-12-18(22-17-11-7-6-10-15(16)17)23-19(26)13-21-14-8-4-3-5-9-14/h3-5,8-9,12,21H,2,6-7,10-11,13H2,1H3,(H,22,23,26)