ethyl 4-(1-oxidanylideneisothiochromen-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(1-oxidanylideneisothiochromen-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(1-oxoisothiochromene-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-oxoisothiochromene-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1-ketoisothiochromene-3-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C17H18N2O4S/c1-2-23-17(22)19-9-7-18(8-10-19)15(20)14-11-12-5-3-4-6-13(12)16(21)24-14/h3-6,11H,2,7-10H2,1H3