methyl 2-[4-(phenylmethyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(phenylmethyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-benzylbenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-[4-(phenylmethyl)phenyl]methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylbenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzylbenzoyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C26H20N2O3S MolecularWeight: 440.5136

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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)CC4=CC=CC=C4)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C26H20N2O3S/c1-3-15-28-22-14-13-21(25(30)31-2)17-23(22)32-26(28)27-24(29)20-11-9-19(10-12-20)16-18-7-5-4-6-8-18/h1,4-14,17H,15-16H2,2H3