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

Systemtic Name: methyl 3-prop-2-ynyl-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-prop-2-ynyl-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(3,4,5-triethoxyphenyl)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-triethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC#C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC#C

InChI

InChI=1S/C25H26N2O6S/c1-6-12-27-18-11-10-16(24(29)30-5)15-21(18)34-25(27)26-23(28)17-13-19(31-7-2)22(33-9-4)20(14-17)32-8-3/h1,10-11,13-15H,7-9,12H2,2-5H3