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

Systemtic Name: ethyl 2-(3-phenoxyphenyl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3-phenoxybenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(3-phenoxyphenyl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-phenoxybenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-phenoxybenzoyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H20N2O4S MolecularWeight: 456.513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C26H20N2O4S/c1-3-15-28-22-14-13-19(25(30)31-4-2)17-23(22)33-26(28)27-24(29)18-9-8-12-21(16-18)32-20-10-6-5-7-11-20/h1,5-14,16-17H,4,15H2,2H3