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

Systemtic Name: ethyl 2-[3,5-bis(chloranyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3,5-dichlorobenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3,5-dichlorophenyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dichlorobenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3,5-dichlorobenzoyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H14Cl2N2O3S MolecularWeight: 433.30776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)Cl)Cl)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)Cl)Cl)S2)CC#C

InChI

InChI=1S/C20H14Cl2N2O3S/c1-3-7-24-16-6-5-12(19(26)27-4-2)10-17(16)28-20(24)23-18(25)13-8-14(21)11-15(22)9-13/h1,5-6,8-11H,4,7H2,2H3