S-ethyl 2-[(4-nitrophenyl)-oxidanyl-methyl]prop-2-enethioate

Systemtic Name: S-ethyl 2-[(4-nitrophenyl)-oxidanyl-methyl]prop-2-enethioate Openeye Name: S-ethyl 2-[hydroxy-(4-nitrophenyl)methyl]prop-2-enethioate CAS Name: 2-[hydroxy-(4-nitrophenyl)methyl]-2-propenethioic acid S-ethyl ester IUPAC Name: S-ethyl 2-[hydroxy-(4-nitrophenyl)methyl]prop-2-enethioate Traditional Name: 2-[hydroxy-(4-nitrophenyl)methyl]prop-2-enethioic acid S-ethyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-3-18-12(15)8(2)11(14)9-4-6-10(7-5-9)13(16)17/h4-7,11,14H,2-3H2,1H3