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

Systemtic Name: methyl 4-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(4-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-27-19(26)14-7-5-13(6-8-14)18(25)23-9-11-24(12-10-23)20-22-17-15(21)3-2-4-16(17)28-20/h2-8H,9-12H2,1H3