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

Systemtic Name: methyl N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-3-methoxy-propanoyl]carbamate Openeye Name: methyl N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-3-methoxy-propanoyl]carbamate CAS Name: N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-methoxy-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-methoxypropanoyl]carbamate Traditional Name: N-[2-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-3-methoxy-propanoyl]carbamic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-13-10-14(28-12-19-22-17-6-4-5-7-18(17)29-19)8-9-15(13)16(11-26-2)20(24)23-21(25)27-3/h4-10,16H,11-12H2,1-3H3,(H,23,24,25)