methyl 3-azanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-sulfanylidene-propanoate

Systemtic Name: methyl 3-azanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-sulfanylidene-propanoate Openeye Name: methyl 3-amino-2-(1,3-dioxoisoindolin-2-yl)-3-thioxo-propanoate CAS Name: 3-amino-2-(1,3-dioxo-2-isoindolyl)-3-sulfanylidenepropanoic acid methyl ester IUPAC Name: methyl 3-amino-2-(1,3-dioxoisoindol-2-yl)-3-sulfanylidenepropanoate Traditional Name: 3-amino-2-phthalimido-3-thioxo-propionic acid methyl ester Formula: C12H10N2O4S MolecularWeight: 278.2838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=S)N)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)C(C(=S)N)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H10N2O4S/c1-18-12(17)8(9(13)19)14-10(15)6-4-2-3-5-7(6)11(14)16/h2-5,8H,1H3,(H2,13,19)