N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide

Systemtic Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide Openeye Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide CAS Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide IUPAC Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide Traditional Name: N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide Formula: C18H13N3O4S MolecularWeight: 367.37852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])S2)CC#C

InChI

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