S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] (E)-3-(4-nitrophenyl)prop-2-enethioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] (E)-3-(4-nitrophenyl)prop-2-enethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] (E)-3-(4-nitrophenyl)prop-2-enethioate CAS Name: (E)-3-(4-nitrophenyl)-2-propenethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] (E)-3-(4-nitrophenyl)prop-2-enethioate Traditional Name: (E)-3-(4-nitrophenyl)prop-2-enethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-2-3-4-5-6-7-15-21-19(23)14-16-27-20(24)13-10-17-8-11-18(12-9-17)22(25)26/h8-14,16H,2-7,15H2,1H3,(H,21,23)/b13-10+,16-14+