N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide

Systemtic Name: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Openeye Name: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide CAS Name: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide IUPAC Name: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide Traditional Name: N-(4-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2CC#C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2CC#C

InChI

InChI=1S/C19H15N3O4S/c1-3-11-21-17-15(26-4-2)9-6-10-16(17)27-19(21)20-18(23)13-7-5-8-14(12-13)22(24)25/h1,5-10,12H,4,11H2,2H3