tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-(3-thiophen-3-ylprop-2-ynyl)amino]carbamate

Systemtic Name: tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-(3-thiophen-3-ylprop-2-ynyl)amino]carbamate Openeye Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[3-(3-thienyl)prop-2-ynyl]amino]carbamate CAS Name: N-[[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]-[3-(3-thiophenyl)prop-2-ynyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(3-thiophen-3-ylprop-2-ynyl)amino]carbamate Traditional Name: N-[[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[3-(3-thienyl)prop-2-ynyl]amino]carbamic acid tert-butyl ester Formula: C27H27ClN4O5S MolecularWeight: 555.04508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CC#CC1=CSC=C1)C(=O)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)C(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)NN(CC#CC1=CSC=C1)C(=O)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)C(=O)N4CCCC4

InChI

InChI=1S/C27H27ClN4O5S/c1-27(2,3)37-26(36)30-32(13-6-7-17-10-14-38-16-17)24(34)21-22(25(35)31-11-4-5-12-31)29-20-15-18(28)8-9-19(20)23(21)33/h8-10,14-16H,4-5,11-13H2,1-3H3,(H,29,33)(H,30,36)