ethyl 2-[2,6-bis(fluoranyl)phenyl]carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2,6-bis(fluoranyl)phenyl]carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-(2,6-difluorobenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2,6-difluorophenyl)-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,6-difluorobenzoyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(2,6-difluorobenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H16F2N2O3S MolecularWeight: 402.414446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC=C3F)F)S2)CC=C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC=C3F)F)S2)CC=C

InChI

InChI=1S/C20H16F2N2O3S/c1-3-10-24-15-9-8-12(19(26)27-4-2)11-16(15)28-20(24)23-18(25)17-13(21)6-5-7-14(17)22/h3,5-9,11H,1,4,10H2,2H3