ethyl 2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-morpholin-4-ylsulfonylbenzoyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H25N3O6S2 MolecularWeight: 515.6018

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=C(C=C3)S(=O)(=O)N4CCOCC4)S2)CC=C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)S2)CC=C

InChI

InChI=1S/C24H25N3O6S2/c1-3-11-27-20-10-7-18(23(29)33-4-2)16-21(20)34-24(27)25-22(28)17-5-8-19(9-6-17)35(30,31)26-12-14-32-15-13-26/h3,5-10,16H,1,4,11-15H2,2H3