3-[[4-(ethylsulfanylcarbamoylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-(ethylsulfanylcarbamoylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-(ethylsulfanylcarbamoylamino)-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-[[[(ethylthio)amino]-oxomethyl]amino]-2-[2-(5-quinolinyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-(ethylsulfanylcarbamoylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-[(ethylthio)carbamoylamino]-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C24H26N4O7S2 MolecularWeight: 546.61584

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Descriptors Computed from Structure

Canonical SMILES:

CCSNC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=C3C=CC=NC3=CC=C2

Isomeric SMILES

CCSNC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=C3C=CC=NC3=CC=C2

InChI

InChI=1S/C24H26N4O7S2/c1-2-36-27-24(32)26-17-8-9-22(37(33,34)28-18(15-29)14-23(30)31)21(13-17)35-12-10-16-5-3-7-20-19(16)6-4-11-25-20/h3-9,11,13,15,18,28H,2,10,12,14H2,1H3,(H,30,31)(H2,26,27,32)