S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 3-methoxy-2-nitro-benzenecarbothioate

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 3-methoxy-2-nitro-benzenecarbothioate Openeye Name: S-(1-carbamoylvinyl) 3-methoxy-2-nitro-benzenecarbothioate CAS Name: 3-methoxy-2-nitrobenzenecarbothioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) 3-methoxy-2-nitrobenzenecarbothioate Traditional Name: 3-methoxy-2-nitro-thiobenzoic acid S-(1-carbamoylvinyl) ester Formula: C11H10N2O5S MolecularWeight: 282.2725

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[N+](=O)[O-])C(=O)SC(=C)C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1[N+](=O)[O-])C(=O)SC(=C)C(=O)N

InChI

InChI=1S/C11H10N2O5S/c1-6(10(12)14)19-11(15)7-4-3-5-8(18-2)9(7)13(16)17/h3-5H,1H2,2H3,(H2,12,14)