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

Systemtic Name: tert-butyl N-[1-benzothiophen-2-ylmethyl-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl]amino]carbamate Openeye Name: tert-butyl N-[benzothiophen-2-ylmethyl-[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]carbamate CAS Name: N-[1-benzothiophen-2-ylmethyl-[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-benzothiophen-2-ylmethyl-[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]carbamate Traditional Name: N-[benzothiophen-2-ylmethyl-[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]carbamic acid tert-butyl ester Formula: C29H29ClN4O5S MolecularWeight: 581.08236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CC1=CC2=CC=CC=C2S1)C(=O)C3=C(NC4=C(C3=O)C=CC(=C4)Cl)C(=O)N5CCCC5

Isomeric SMILES

CC(C)(C)OC(=O)NN(CC1=CC2=CC=CC=C2S1)C(=O)C3=C(NC4=C(C3=O)C=CC(=C4)Cl)C(=O)N5CCCC5

InChI

InChI=1S/C29H29ClN4O5S/c1-29(2,3)39-28(38)32-34(16-19-14-17-8-4-5-9-22(17)40-19)26(36)23-24(27(37)33-12-6-7-13-33)31-21-15-18(30)10-11-20(21)25(23)35/h4-5,8-11,14-15H,6-7,12-13,16H2,1-3H3,(H,31,35)(H,32,38)