ethyl 2-(2,2-diphenylethanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2,2-diphenylethanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxo-2,2-diphenylethyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,2-diphenylacetyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C27H22N2O3S/c1-3-17-29-22-16-15-21(26(31)32-4-2)18-23(22)33-27(29)28-25(30)24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h1,5-16,18,24H,4,17H2,2H3