S-methyl (E)-5-(4-nitrophenyl)-3-oxidanylidene-pent-4-enethioate

Systemtic Name: S-methyl (E)-5-(4-nitrophenyl)-3-oxidanylidene-pent-4-enethioate Openeye Name: S-methyl (E)-5-(4-nitrophenyl)-3-oxo-pent-4-enethioate CAS Name: (E)-5-(4-nitrophenyl)-3-oxo-4-pentenethioic acid S-methyl ester IUPAC Name: S-methyl (E)-5-(4-nitrophenyl)-3-oxopent-4-enethioate Traditional Name: (E)-3-keto-5-(4-nitrophenyl)pent-4-enethioic acid S-methyl ester Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)CC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CSC(=O)CC(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO4S/c1-18-12(15)8-11(14)7-4-9-2-5-10(6-3-9)13(16)17/h2-7H,8H2,1H3/b7-4+