methyl 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-pentanoate CAS Name: 5-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)piperazino]-5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]valeric acid methyl ester Formula: C28H29N5O5S MolecularWeight: 547.62536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)OC)C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)OC)C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H29N5O5S/c1-37-23-17-22(29-19-8-4-3-7-18(19)23)26(35)30-21(11-12-25(34)38-2)27(36)32-13-15-33(16-14-32)28-31-20-9-5-6-10-24(20)39-28/h3-10,17,21H,11-16H2,1-2H3,(H,30,35)