(E)-2-cyano-3-[5-nitro-2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]-N-prop-2-enyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[5-nitro-2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-2-cyano-3-[5-nitro-2-[2-oxo-2-(thiazol-2-ylamino)ethoxy]phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[5-nitro-2-[2-oxo-2-(2-thiazolylamino)ethoxy]phenyl]-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[5-nitro-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-2-cyano-3-[2-[2-keto-2-(thiazol-2-ylamino)ethoxy]-5-nitro-phenyl]acrylamide Formula: C18H15N5O5S MolecularWeight: 413.4072

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)NC2=NC=CS2)C#N

Isomeric SMILES

C=CCNC(=O)/C(=C/C1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)NC2=NC=CS2)/C#N

InChI

InChI=1S/C18H15N5O5S/c1-2-5-20-17(25)13(10-19)8-12-9-14(23(26)27)3-4-15(12)28-11-16(24)22-18-21-6-7-29-18/h2-4,6-9H,1,5,11H2,(H,20,25)(H,21,22,24)/b13-8+