ethyl 2-(5-chloranyl-2-nitro-phenyl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(5-chloranyl-2-nitro-phenyl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(5-chloro-2-nitro-benzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(5-chloro-2-nitrophenyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-chloro-2-nitrobenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(5-chloro-2-nitro-benzoyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H14ClN3O5S MolecularWeight: 443.86026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O5S/c1-3-9-23-16-7-5-12(19(26)29-4-2)10-17(16)30-20(23)22-18(25)14-11-13(21)6-8-15(14)24(27)28/h1,5-8,10-11H,4,9H2,2H3