ethyl 4-(6-bromanyl-4-oxidanylidene-thiochromen-3-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(6-bromanyl-4-oxidanylidene-thiochromen-3-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(6-bromo-4-oxo-thiochromen-3-yl)piperazine-1-carboxylate CAS Name: 4-(6-bromo-4-oxo-1-benzothiopyran-3-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-bromo-4-oxothiochromen-3-yl)piperazine-1-carboxylate Traditional Name: 4-(6-bromo-4-keto-thiochromen-3-yl)piperazine-1-carboxylic acid ethyl ester Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C16H17BrN2O3S/c1-2-22-16(21)19-7-5-18(6-8-19)13-10-23-14-4-3-11(17)9-12(14)15(13)20/h3-4,9-10H,2,5-8H2,1H3