methyl 2-(4-cyanophenyl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(4-cyanophenyl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-cyanobenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-cyanophenyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanobenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-cyanobenzoyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H13N3O3S MolecularWeight: 375.40052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13N3O3S/c1-3-10-23-16-9-8-15(19(25)26-2)11-17(16)27-20(23)22-18(24)14-6-4-13(12-21)5-7-14/h1,4-9,11H,10H2,2H3