(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) 3-nitrobenzoate

Systemtic Name: (2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) 3-nitrobenzoate Openeye Name: (2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl) ester IUPAC Name: (2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) ester Formula: C17H10N2O4S2 MolecularWeight: 370.4023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C3=C2SC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C3=C2SC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H10N2O4S2/c1-9-18-15-14(25-9)8-13(12-5-6-24-16(12)15)23-17(20)10-3-2-4-11(7-10)19(21)22/h2-8H,1H3