N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide

Systemtic Name: N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide Openeye Name: N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide CAS Name: N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide IUPAC Name: N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide Traditional Name: N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2CCOC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2CCOC)C

InChI

InChI=1S/C19H19N3O4S/c1-12-9-13(2)17-16(10-12)27-19(21(17)7-8-26-3)20-18(23)14-5-4-6-15(11-14)22(24)25/h4-6,9-11H,7-8H2,1-3H3