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

Systemtic Name: tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-[(3-methylthiophen-2-yl)methyl]amino]carbamate Openeye Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[(3-methyl-2-thienyl)methyl]amino]carbamate CAS Name: N-[[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]-[(3-methyl-2-thiophenyl)methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[(3-methylthiophen-2-yl)methyl]amino]carbamate Traditional Name: N-[[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[(3-methyl-2-thienyl)methyl]amino]carbamic acid tert-butyl ester Formula: C26H29ClN4O5S MolecularWeight: 545.05026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C(=O)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)C(=O)N4CCCC4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(SC=C1)CN(C(=O)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)C(=O)N4CCCC4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H29ClN4O5S/c1-15-9-12-37-19(15)14-31(29-25(35)36-26(2,3)4)23(33)20-21(24(34)30-10-5-6-11-30)28-18-13-16(27)7-8-17(18)22(20)32/h7-9,12-13H,5-6,10-11,14H2,1-4H3,(H,28,32)(H,29,35)