methyl 3-prop-2-ynyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-prop-2-ynyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-prop-2-ynyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(3,4,5-trimethoxyphenyl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-prop-2-ynyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC#C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC#C

InChI

InChI=1S/C22H20N2O6S/c1-6-9-24-15-8-7-13(21(26)30-5)12-18(15)31-22(24)23-20(25)14-10-16(27-2)19(29-4)17(11-14)28-3/h1,7-8,10-12H,9H2,2-5H3