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

Systemtic Name: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Openeye Name: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide CAS Name: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide IUPAC Name: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide Traditional Name: N-(4-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2CC#C

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2CC#C

InChI

InChI=1S/C18H13N3O4S/c1-3-10-20-16-14(25-2)8-5-9-15(16)26-18(20)19-17(22)12-6-4-7-13(11-12)21(23)24/h1,4-9,11H,10H2,2H3