ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-(ethylthiocarbamoylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=NC2=C(CCCC2)C=C1C(=O)OCC

Isomeric SMILES

CCNC(=S)NC1=NC2=C(CCCC2)C=C1C(=O)OCC

InChI

InChI=1S/C15H21N3O2S/c1-3-16-15(21)18-13-11(14(19)20-4-2)9-10-7-5-6-8-12(10)17-13/h9H,3-8H2,1-2H3,(H2,16,17,18,21)