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

Systemtic Name: methyl 2-[3,5-bis(chloranyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H12Cl2N2O3S MolecularWeight: 419.28118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12Cl2N2O3S/c1-3-6-23-15-5-4-11(18(25)26-2)9-16(15)27-19(23)22-17(24)12-7-13(20)10-14(21)8-12/h1,4-5,7-10H,6H2,2H3