(E)-2-cyano-3-(4-morpholin-4-yl-3-nitro-phenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(4-morpholin-4-yl-3-nitro-phenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-morpholino-3-nitro-phenyl)-N-thiazol-2-yl-prop-2-enamide CAS Name: (E)-2-cyano-3-[4-(4-morpholinyl)-3-nitrophenyl]-N-(2-thiazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-morpholin-4-yl-3-nitrophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-morpholino-3-nitro-phenyl)-N-thiazol-2-yl-acrylamide Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c18-11-13(16(23)20-17-19-3-8-27-17)9-12-1-2-14(15(10-12)22(24)25)21-4-6-26-7-5-21/h1-3,8-10H,4-7H2,(H,19,20,23)/b13-9+