ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(4-methoxycarbonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(4-methoxycarbonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-(4-methoxycarbonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[(4-methoxycarbonylphenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-2-(4-methoxycarbonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-carbomethoxybenzoyl)imino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H22N2O7S MolecularWeight: 470.49498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H22N2O7S/c1-4-31-19(26)13-25-17-11-10-16(22(29)32-5-2)12-18(17)33-23(25)24-20(27)14-6-8-15(9-7-14)21(28)30-3/h6-12H,4-5,13H2,1-3H3