(2-methylphenyl) N-[4-(1,3-benzothiazol-2-ylmethoxy)butoxycarbonyl]carbamate

Systemtic Name: (2-methylphenyl) N-[4-(1,3-benzothiazol-2-ylmethoxy)butoxycarbonyl]carbamate Openeye Name: o-tolyl N-[4-(1,3-benzothiazol-2-ylmethoxy)butoxycarbonyl]carbamate CAS Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)butoxy-oxomethyl]carbamic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) N-[4-(1,3-benzothiazol-2-ylmethoxy)butoxycarbonyl]carbamate Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)butoxycarbonyl]carbamic acid o-tolyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)NC(=O)OCCCCOCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1OC(=O)NC(=O)OCCCCOCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O5S/c1-15-8-2-4-10-17(15)28-21(25)23-20(24)27-13-7-6-12-26-14-19-22-16-9-3-5-11-18(16)29-19/h2-5,8-11H,6-7,12-14H2,1H3,(H,23,24,25)