N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide Openeye Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide CAS Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide Traditional Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S2)CCOC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S2)CCOC

InChI

InChI=1S/C18H17N3O4S/c1-12-6-7-15-16(10-12)26-18(20(15)8-9-25-2)19-17(22)13-4-3-5-14(11-13)21(23)24/h3-7,10-11H,8-9H2,1-2H3