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

Systemtic Name: methyl 2-[2,5-bis(chloranyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,5-dichlorobenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2,5-dichlorophenyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,5-dichlorobenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,5-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=C(C=CC(=C3)Cl)Cl)S2)CC#C

Isomeric SMILES

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

InChI

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