methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-[(E)-but-2-enoyl]carbamate

Systemtic Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-[(E)-but-2-enoyl]carbamate Openeye Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-[(E)-but-2-enoyl]carbamate CAS Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[(E)-1-oxobut-2-enyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[(E)-but-2-enoyl]carbamate Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-[(E)-but-2-enoyl]carbamic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N(C1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C)C(=O)OC

Isomeric SMILES

C/C=C/C(=O)N(C1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C)C(=O)OC

InChI

InChI=1S/C21H20N2O4S/c1-4-7-20(24)23(21(25)26-3)17-11-10-15(12-14(17)2)27-13-19-22-16-8-5-6-9-18(16)28-19/h4-12H,13H2,1-3H3/b7-4+