methyl N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-2-chloranyl-propanoyl]carbamate

Systemtic Name: methyl N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-2-chloranyl-propanoyl]carbamate Openeye Name: methyl N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-2-chloro-propanoyl]carbamate CAS Name: N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-2-chloro-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-2-chloropropanoyl]carbamate Traditional Name: N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-2-chloro-propanoyl]carbamic acid methyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)C(C)(C(=O)NC(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)C(C)(C(=O)NC(=O)OC)Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-12-10-13(27-11-17-22-15-6-4-5-7-16(15)28-17)8-9-14(12)20(2,21)18(24)23-19(25)26-3/h4-10H,11H2,1-3H3,(H,23,24,25)