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

Systemtic Name: 5-chloranyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Openeye Name: 5-chloro-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: 5-chloro-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: 5-chloro-N-(6-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=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

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

InChI

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