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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C(=O)C=CCOCC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-15-8-3-5-10-17(15)23(21(25)26-2)20(24)12-7-13-27-14-19-22-16-9-4-6-11-18(16)28-19/h3-12H,13-14H2,1-2H3/b12-7+