ethyl 2-(2-methylphenyl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2-methylphenyl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-methylbenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2-methylphenyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylbenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-o-toluoylimino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3C)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3C)S2)CC#C

InChI

InChI=1S/C21H18N2O3S/c1-4-12-23-17-11-10-15(20(25)26-5-2)13-18(17)27-21(23)22-19(24)16-9-7-6-8-14(16)3/h1,6-11,13H,5,12H2,2-3H3