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

Systemtic Name: ethyl 3-prop-2-ynyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O6S/c1-6-10-25-16-9-8-14(22(27)31-7-2)13-19(16)32-23(25)24-21(26)15-11-17(28-3)20(30-5)18(12-15)29-4/h1,8-9,11-13H,7,10H2,2-5H3