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

Systemtic Name: methyl 4-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-27-16-4-3-5-17-18(16)22-21(29-17)24-12-10-23(11-13-24)19(25)14-6-8-15(9-7-14)20(26)28-2/h3-9H,10-13H2,1-2H3