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

Systemtic Name: methyl 4-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H23N3O4S/c1-3-29-17-5-4-6-18-19(17)23-22(30-18)25-13-11-24(12-14-25)20(26)15-7-9-16(10-8-15)21(27)28-2/h4-10H,3,11-14H2,1-2H3