[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] quinoxaline-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] quinoxaline-6-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSCCNC(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

C1=CSC(=C1)CSCCNC(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C18H17N3O3S2/c22-17(21-7-9-25-12-14-2-1-8-26-14)11-24-18(23)13-3-4-15-16(10-13)20-6-5-19-15/h1-6,8,10H,7,9,11-12H2,(H,21,22)