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

Systemtic Name: 5-chloranyl-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Openeye Name: 5-chloro-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: 5-chloro-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: 5-chloro-N-(4-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C18H12ClN3O4S MolecularWeight: 401.82358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O4S/c1-3-9-21-16-14(26-2)5-4-6-15(16)27-18(21)20-17(23)12-10-11(19)7-8-13(12)22(24)25/h1,4-8,10H,9H2,2H3