methyl 2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate CAS Name: 2-[[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)OC)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-13-16(22)7-8-17-18(13)23-21(29-17)25-11-9-24(10-12-25)19(26)14-5-3-4-6-15(14)20(27)28-2/h3-8H,9-12H2,1-2H3