4-methoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-benzothiazole-7-carboxylic acid

Systemtic Name: 4-methoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-benzothiazole-7-carboxylic acid Openeye Name: 2-(2-tert-butoxycarbonylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole-7-carboxylic acid CAS Name: 4-methoxy-2-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-1,3-benzothiazole-7-carboxylic acid IUPAC Name: 4-methoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-benzothiazole-7-carboxylic acid Traditional Name: 2-(2-tert-butoxycarbonylpiperazino)-4-methoxy-1,3-benzothiazole-7-carboxylic acid Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CNCCN1C2=NC3=C(C=CC(=C3S2)C(=O)O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1C2=NC3=C(C=CC(=C3S2)C(=O)O)OC

InChI

InChI=1S/C18H23N3O5S/c1-18(2,3)26-16(24)11-9-19-7-8-21(11)17-20-13-12(25-4)6-5-10(15(22)23)14(13)27-17/h5-6,11,19H,7-9H2,1-4H3,(H,22,23)