methyl 2-(2,2-diphenylethanoylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2,2-diphenylethanoylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,2-diphenylacetyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-(1-oxo-2,2-diphenylethyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2-diphenylacetyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,2-diphenylacetyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4S/c1-3-33-17-16-29-22-15-14-21(26(31)32-2)18-23(22)34-27(29)28-25(30)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,18,24H,3,16-17H2,1-2H3