(E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)acrylamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])S2)CCOC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])S2)CCOC

InChI

InChI=1S/C21H20N4O5S/c1-14(26)22-16-7-8-18-19(13-16)31-21(24(18)10-11-30-2)23-20(27)9-6-15-4-3-5-17(12-15)25(28)29/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)/b9-6+,23-21?