2-[3-(4-ethoxycarbonylpiperazin-1-yl)-2-[(4-methoxyquinolin-2-yl)carbonylamino]-3-oxidanylidene-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-(4-ethoxycarbonylpiperazin-1-yl)-2-[(4-methoxyquinolin-2-yl)carbonylamino]-3-oxidanylidene-propyl]sulfanylethanoic acid Openeye Name: 2-[3-(4-ethoxycarbonylpiperazin-1-yl)-2-[(4-methoxyquinoline-2-carbonyl)amino]-3-oxo-propyl]sulfanylacetic acid CAS Name: 2-[[3-(4-ethoxycarbonyl-1-piperazinyl)-2-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-3-oxopropyl]thio]acetic acid IUPAC Name: 2-[3-(4-ethoxycarbonylpiperazin-1-yl)-2-[(4-methoxyquinoline-2-carbonyl)amino]-3-oxopropyl]sulfanylacetic acid Traditional Name: 2-[[3-(4-carbethoxypiperazino)-3-keto-2-[(4-methoxyquinoline-2-carbonyl)amino]propyl]thio]acetic acid Formula: C23H28N4O7S MolecularWeight: 504.55602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CSCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CSCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OC

InChI

InChI=1S/C23H28N4O7S/c1-3-34-23(32)27-10-8-26(9-11-27)22(31)18(13-35-14-20(28)29)25-21(30)17-12-19(33-2)15-6-4-5-7-16(15)24-17/h4-7,12,18H,3,8-11,13-14H2,1-2H3,(H,25,30)(H,28,29)