[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]methyl 4-chloranylbenzoate

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]methyl 4-chloranylbenzoate Openeye Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methyl-anilino]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]methyl ester IUPAC Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-carbomethoxy-2-methyl-anilino]methyl ester Formula: C25H21ClN2O5S MolecularWeight: 496.96264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(COC(=O)C4=CC=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(COC(=O)C4=CC=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C25H21ClN2O5S/c1-16-13-19(32-14-23-27-20-5-3-4-6-22(20)34-23)11-12-21(16)28(25(30)31-2)15-33-24(29)17-7-9-18(26)10-8-17/h3-13H,14-15H2,1-2H3