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

Systemtic Name: methyl N-[(E)-4-(1,3-benzothiazol-2-ylmethoxy)-3-methyl-but-2-enoyl]-N-(2-methylphenyl)carbamate Openeye Name: methyl N-[(E)-4-(1,3-benzothiazol-2-ylmethoxy)-3-methyl-but-2-enoyl]-N-(o-tolyl)carbamate CAS Name: N-[(E)-4-(1,3-benzothiazol-2-ylmethoxy)-3-methyl-1-oxobut-2-enyl]-N-(2-methylphenyl)carbamic acid methyl ester IUPAC Name: methyl N-[(E)-4-(1,3-benzothiazol-2-ylmethoxy)-3-methylbut-2-enoyl]-N-(2-methylphenyl)carbamate Traditional Name: N-[(E)-4-(1,3-benzothiazol-2-ylmethoxy)-3-methyl-but-2-enoyl]-N-(o-tolyl)carbamic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C(=O)C=C(C)COCC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N(C(=O)/C=C(\C)/COCC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-15(13-28-14-20-23-17-9-5-7-11-19(17)29-20)12-21(25)24(22(26)27-3)18-10-6-4-8-16(18)2/h4-12H,13-14H2,1-3H3/b15-12+