ethyl (2E)-3-azanyl-2-[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazolidin-2-ylidene]-3-sulfanylidene-propanoate

Systemtic Name: ethyl (2E)-3-azanyl-2-[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazolidin-2-ylidene]-3-sulfanylidene-propanoate Openeye Name: ethyl (2E)-3-amino-2-[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazolidin-2-ylidene]-3-thioxo-propanoate CAS Name: (2E)-3-amino-2-[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,3,4-oxadiazolidin-2-ylidene]-3-sulfanylidenepropanoic acid ethyl ester IUPAC Name: ethyl (2E)-3-amino-2-[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazolidin-2-ylidene]-3-sulfanylidenepropanoate Traditional Name: (2E)-3-amino-2-[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazolidin-2-ylidene]-3-thioxo-propionic acid ethyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1NNC(=C2C=CC=CC2=O)O1)C(=S)N

Isomeric SMILES

CCOC(=O)/C(=C\1/NNC(=C2C=CC=CC2=O)O1)/C(=S)N

InChI

InChI=1S/C13H13N3O4S/c1-2-19-13(18)9(10(14)21)12-16-15-11(20-12)7-5-3-4-6-8(7)17/h3-6,15-16H,2H2,1H3,(H2,14,21)/b11-7?,12-9-