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methyl 2-[5-isothiocyanato-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoate

methyl 2-[5-isothiocyanato-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoate

Systemtic Name:methyl 2-[5-isothiocyanato-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoate
Openeye Name:methyl 2-(5-isothiocyanato-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate
CAS Name:2-(5-isothiocyanato-1,3-dioxo-2-benzo[de]isoquinolinyl)acetic acid methyl ester
IUPAC Name:methyl 2-(5-isothiocyanato-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate
Traditional Name:2-(5-isothiocyanato-1,3-diketo-benzo[de]isoquinolin-2-yl)acetic acid methyl ester
Formula: C16H10N2O4S
MolecularWeight: 326.3266
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N=C=S


Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N=C=S


InChI

InChI=1S/C16H10N2O4S/c1-22-13(19)7-18-15(20)11-4-2-3-9-5-10(17-8-23)6-12(14(9)11)16(18)21/h2-6H,7H2,1H3


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