ethyl 1-(1-ethoxycarbonylcyclobutyl)cyclobutane-1-carboxylate; 1-[1-(4-isocyanobutyl)cyclopentyl]sulfonyl-4-methyl-benzene

Systemtic Name: ethyl 1-(1-ethoxycarbonylcyclobutyl)cyclobutane-1-carboxylate; 1-[1-(4-isocyanobutyl)cyclopentyl]sulfonyl-4-methyl-benzene Openeye Name: ethyl 1-(1-ethoxycarbonylcyclobutyl)cyclobutanecarboxylate; 1-[1-(4-isocyanobutyl)cyclopentyl]sulfonyl-4-methyl-benzene CAS Name: 1-(1-ethoxycarbonylcyclobutyl)-1-cyclobutanecarboxylic acid ethyl ester; 1-[1-(4-isocyanobutyl)cyclopentyl]sulfonyl-4-methylbenzene IUPAC Name: ethyl 1-(1-ethoxycarbonylcyclobutyl)cyclobutane-1-carboxylate; 1-[1-(4-isocyanobutyl)cyclopentyl]sulfonyl-4-methylbenzene Traditional Name: 1-(1-carbethoxycyclobutyl)cyclobutanecarboxylic acid ethyl ester; 1-[1-(4-isocyanobutyl)cyclopentyl]sulfonyl-4-methyl-benzene Formula: C31H45NO6S MolecularWeight: 559.7571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC1)C2(CCC2)C(=O)OCC.CC1=CC=C(C=C1)S(=O)(=O)C2(CCCC2)CCCC[N+]#[C-]

Isomeric SMILES

CCOC(=O)C1(CCC1)C2(CCC2)C(=O)OCC.CC1=CC=C(C=C1)S(=O)(=O)C2(CCCC2)CCCC[N+]#[C-]

InChI

InChI=1S/C17H23NO2S.C14H22O4/c1-15-7-9-16(10-8-15)21(19,20)17(11-3-4-12-17)13-5-6-14-18-2;1-3-17-11(15)13(7-5-8-13)14(9-6-10-14)12(16)18-4-2/h7-10H,3-6,11-14H2,1H3;3-10H2,1-2H3