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

Systemtic Name: ethyl 3-prop-2-ynyl-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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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)OCC)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6S/c1-6-13-28-19-12-11-17(25(30)34-10-5)16-22(19)35-26(28)27-24(29)18-14-20(31-7-2)23(33-9-4)21(15-18)32-8-3/h1,11-12,14-16H,7-10,13H2,2-5H3